4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine

C12H16N6 — CID 22543383

IUPAC4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
SMILESCC(C)Nc1ncnc(Nc2ccncc2)c1N
InChIInChI=1S/C12H16N6/c1-8(2)17-11-10(13)12(16-7-15-11)18-9-3-5-14-6-4-9/h3-8H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyWFPXASCEWZYGBZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.02
Rot. Bonds4

About 4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine

4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine (PubChem CID 22543383) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
PubChem CID22543383
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
SMILESCC(C)Nc1ncnc(Nc2ccncc2)c1N
InChIInChI=1S/C12H16N6/c1-8(2)17-11-10(13)12(16-7-15-11)18-9-3-5-14-6-4-9/h3-8H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyWFPXASCEWZYGBZ-UHFFFAOYSA-N
XLogP2.02
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine 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

6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19134968
4-N-(6-methyl-2-pyridinyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22542247
6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine
CID 22543393
6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22547831
4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22543522
4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145512
6-N-(2-methylquinolin-8-yl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135607
4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148988
4-(pyridin-4-ylamino)pyrimidin-5-ol
CID 122449210
6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135719
6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135694
N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22543504

Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine (CID 22543383) is 4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine is CC(C)Nc1ncnc(Nc2ccncc2)c1N.
What is the InChIKey of 4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine?
The InChIKey is WFPXASCEWZYGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-8(2)17-11-10(13)12(16-7-15-11)18-9-3-5-14-6-4-9/h3-8H,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine?
4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine has a molecular weight of 244.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22543383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).