4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine

C12H13N5 — CID 131902360

IUPAC4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(-c2ccncc2)n1
InChIInChI=1S/C12H13N5/c13-12-16-10(8-3-5-14-6-4-8)7-11(17-12)15-9-1-2-9/h3-7,9H,1-2H2,(H3,13,15,16,17)
InChIKeyMGRUNFNJEBSVTC-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.70
Rot. Bonds3

About 4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine

4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine (PubChem CID 131902360) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine
PubChem CID131902360
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(-c2ccncc2)n1
InChIInChI=1S/C12H13N5/c13-12-16-10(8-3-5-14-6-4-8)7-11(17-12)15-9-1-2-9/h3-7,9H,1-2H2,(H3,13,15,16,17)
InChIKeyMGRUNFNJEBSVTC-UHFFFAOYSA-N
XLogP1.70
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 117081020
N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
CID 5005272
N-cyclopropyl-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4107604
4-N-cyclopropyl-6-quinolin-5-ylpyrimidine-2,4-diamine
CID 90189826
4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;hydrochloride
CID 91826507
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
4-N-cyclopropyl-6-(1H-indol-4-yl)pyrimidine-2,4-diamine
CID 90189444
4-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80932012
2-(2-fluorophenyl)-N-piperidin-4-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 56766985
4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 122571443
4-N-cyclooctyl-6-hydrazinylpyrimidine-2,4-diamine
CID 80932783
2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid
CID 67083636

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine (CID 131902360) is 4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine is Nc1nc(NC2CC2)cc(-c2ccncc2)n1.
What is the InChIKey of 4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine?
The InChIKey is MGRUNFNJEBSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-12-16-10(8-3-5-14-6-4-8)7-11(17-12)15-9-1-2-9/h3-7,9H,1-2H2,(H3,13,15,16,17).
What are the key properties of 4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine?
4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine has a molecular weight of 227.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-pyridin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 131902360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).