4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine

C22H27N7 — CID 67983581

IUPAC4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
SMILESCC(C)(C)CNc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
InChIInChI=1S/C22H27N7/c1-22(2,3)14-26-20-25-13-17(19(29-20)12-15-4-5-15)18-8-11-24-21(28-18)27-16-6-9-23-10-7-16/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,25,26,29)(H,23,24,27,28)
InChIKeyORNLELIBWAZVOJ-UHFFFAOYSA-N
MW389.51 g/mol
LogP4.48
Rot. Bonds7

About 4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine

4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 67983581) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID67983581
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC Name4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
SMILESCC(C)(C)CNc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1
InChIInChI=1S/C22H27N7/c1-22(2,3)14-26-20-25-13-17(19(29-20)12-15-4-5-15)18-8-11-24-21(28-18)27-16-6-9-23-10-7-16/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,25,26,29)(H,23,24,27,28)
InChIKeyORNLELIBWAZVOJ-UHFFFAOYSA-N
XLogP4.48
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine 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

SB-220025
CID 5164
Msx-122
CID 11687907
Crozbaciclib
CID 129202507
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
trans-N-(4-(2-(4-Phenyl-1-piperazinyl)ethyl)cyclohexyl)-2-pyrimidinamine
CID 3075615
Jnj-38893777
CID 16742146
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
Vps34-IN-1
CID 57404276
VPS34 inhibitor 1
CID 67983918
Sri-9439
CID 446752
Pik-iii
CID 67983123

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine (CID 67983581) is 4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine is CC(C)(C)CNc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is ORNLELIBWAZVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7/c1-22(2,3)14-26-20-25-13-17(19(29-20)12-15-4-5-15)18-8-11-24-21(28-18)27-16-6-9-23-10-7-16/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,25,26,29)(H,23,24,27,28).
What are the key properties of 4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine?
4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 389.51 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 67983581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).