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

C15H24N6 — CID 102807842

IUPAC4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cn(C)nc2C)nc(CCC)n1
InChIInChI=1S/C15H24N6/c1-5-7-13-18-14(16-8-6-2)9-15(19-13)17-12-10-21(4)20-11(12)3/h9-10H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyQFTGRBVSRRJIEO-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.04
Rot. Bonds7

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

4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine (PubChem CID 102807842) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine
PubChem CID102807842
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2cn(C)nc2C)nc(CCC)n1
InChIInChI=1S/C15H24N6/c1-5-7-13-18-14(16-8-6-2)9-15(19-13)17-12-10-21(4)20-11(12)3/h9-10H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyQFTGRBVSRRJIEO-UHFFFAOYSA-N
XLogP3.04
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 102807870
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 107465163
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 115991902
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80950114
2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80849853
4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80949730
2-(1,3-dimethylpyrazol-4-yl)-6-ethyl-N-propylpyrimidin-4-amine
CID 83092125
4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80938555

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine (CID 102807842) is 4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine is CCCNc1cc(Nc2cn(C)nc2C)nc(CCC)n1.
What is the InChIKey of 4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The InChIKey is QFTGRBVSRRJIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-5-7-13-18-14(16-8-6-2)9-15(19-13)17-12-10-21(4)20-11(12)3/h9-10H,5-8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine?
4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 102807842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).