2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine

C15H22N6 — CID 102807870

IUPAC2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cn(C)nc2C)nc(C2CC2)n1
InChIInChI=1S/C15H22N6/c1-4-7-16-13-8-14(19-15(18-13)11-5-6-11)17-12-9-21(3)20-10(12)2/h8-9,11H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyWDYQMLXCIAFOIQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.96
Rot. Bonds6

About 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 102807870) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID102807870
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cn(C)nc2C)nc(C2CC2)n1
InChIInChI=1S/C15H22N6/c1-4-7-16-13-8-14(19-15(18-13)11-5-6-11)17-12-9-21(3)20-10(12)2/h8-9,11H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyWDYQMLXCIAFOIQ-UHFFFAOYSA-N
XLogP2.96
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 102807842
4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80956080
4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955833
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclopropyl-N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinylpyrimidin-4-amine
CID 107465277
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 102807808
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948
4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 107465163
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196
2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
CID 106598687

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine (CID 102807870) is 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2cn(C)nc2C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is WDYQMLXCIAFOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-4-7-16-13-8-14(19-15(18-13)11-5-6-11)17-12-9-21(3)20-10(12)2/h8-9,11H,4-7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 102807870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).