2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine

C25H29N9O2 — CID 42645046

IUPAC2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)c2)n1)c1cccc2[nH]ncc12
InChIInChI=1S/C25H29N9O2/c1-32(21-4-2-3-20-19(21)17-27-31-20)22-5-6-26-25(30-22)28-18-15-23(33-7-11-35-12-8-33)29-24(16-18)34-9-13-36-14-10-34/h2-6,15-17H,7-14H2,1H3,(H,27,31)(H,26,28,29,30)
InChIKeySEOHGWZXTWJVDE-UHFFFAOYSA-N
MW487.57 g/mol
LogP2.93
Rot. Bonds6

About 2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine

2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 42645046) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is 2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID42645046
Molecular FormulaC25H29N9O2
Molecular Weight487.57 g/mol
Exact Mass487.24
IUPAC Name2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)c2)n1)c1cccc2[nH]ncc12
InChIInChI=1S/C25H29N9O2/c1-32(21-4-2-3-20-19(21)17-27-31-20)22-5-6-26-25(30-22)28-18-15-23(33-7-11-35-12-8-33)29-24(16-18)34-9-13-36-14-10-34/h2-6,15-17H,7-14H2,1H3,(H,27,31)(H,26,28,29,30)
InChIKeySEOHGWZXTWJVDE-UHFFFAOYSA-N
XLogP2.93
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine (CID 42645046) is 2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine is CN(c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)c2)n1)c1cccc2[nH]ncc12.
What is the InChIKey of 2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is SEOHGWZXTWJVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-32(21-4-2-3-20-19(21)17-27-31-20)22-5-6-26-25(30-22)28-18-15-23(33-7-11-35-12-8-33)29-24(16-18)34-9-13-36-14-10-34/h2-6,15-17H,7-14H2,1H3,(H,27,31)(H,26,28,29,30).
What are the key properties of 2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine?
2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 487.57 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-N-(1H-indazol-4-yl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 42645046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).