2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide

C19H26N8O2 — CID 90183521

IUPAC2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide
SMILESCc1nc2cnc(Nc3ccnc(NCC(C)(CO)C(N)=O)n3)cc2n1C(C)C
InChIInChI=1S/C19H26N8O2/c1-11(2)27-12(3)24-13-8-22-16(7-14(13)27)25-15-5-6-21-18(26-15)23-9-19(4,10-28)17(20)29/h5-8,11,28H,9-10H2,1-4H3,(H2,20,29)(H2,21,22,23,25,26)
InChIKeyFDQRSBZFRBAVPF-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.75
Rot. Bonds8

About 2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide

2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide (PubChem CID 90183521) has the molecular formula C19H26N8O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide
PubChem CID90183521
Molecular FormulaC19H26N8O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC Name2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide
SMILESCc1nc2cnc(Nc3ccnc(NCC(C)(CO)C(N)=O)n3)cc2n1C(C)C
InChIInChI=1S/C19H26N8O2/c1-11(2)27-12(3)24-13-8-22-16(7-14(13)27)25-15-5-6-21-18(26-15)23-9-19(4,10-28)17(20)29/h5-8,11,28H,9-10H2,1-4H3,(H2,20,29)(H2,21,22,23,25,26)
InChIKeyFDQRSBZFRBAVPF-UHFFFAOYSA-N
XLogP1.75
TPSA143.87 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]methyl]cyclopropane-1-carboxamide
CID 90183655
2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol
CID 90183463
tert-butyl N-methyl-N-[5-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]-1,3-thiazol-2-yl]carbamate
CID 90178396
2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90183504
2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90183743
2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 144632896
2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90177808
2-methyl-N-[2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 91971390
2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;molecular hydrogen
CID 144632895
2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 118661753
2-methyl-1-propan-2-yl-N-[2-(4-propan-2-ylsulfinylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 129271175
N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 148710744

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide?
The IUPAC name of 2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide (CID 90183521) is 2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide.
What is the SMILES notation for 2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide?
The canonical SMILES for 2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide is Cc1nc2cnc(Nc3ccnc(NCC(C)(CO)C(N)=O)n3)cc2n1C(C)C.
What is the InChIKey of 2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide?
The InChIKey is FDQRSBZFRBAVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O2/c1-11(2)27-12(3)24-13-8-22-16(7-14(13)27)25-15-5-6-21-18(26-15)23-9-19(4,10-28)17(20)29/h5-8,11,28H,9-10H2,1-4H3,(H2,20,29)(H2,21,22,23,25,26).
What are the key properties of 2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide?
2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide has a molecular weight of 398.47 g/mol, XLogP of 1.75, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methyl-3-[[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]amino]propanamide is sourced from PubChem (CID 90183521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).