2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine

C12H18N6 — CID 80849853

IUPAC2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccn(C)n2)nc(C)n1
InChIInChI=1S/C12H18N6/c1-4-6-13-11-8-12(15-9(2)14-11)16-10-5-7-18(3)17-10/h5,7-8H,4,6H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyONZXRDYOYKDXPZ-UHFFFAOYSA-N
MW246.32 g/mol
LogP2.08
Rot. Bonds5

About 2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine

2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80849853) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80849853
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccn(C)n2)nc(C)n1
InChIInChI=1S/C12H18N6/c1-4-6-13-11-8-12(15-9(2)14-11)16-10-5-7-18(3)17-10/h5,7-8H,4,6H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyONZXRDYOYKDXPZ-UHFFFAOYSA-N
XLogP2.08
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959824
6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772484
4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867244
2-N-ethyl-6-N-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718897
2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
CID 80851272
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-N-(1-methylpyrazol-3-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80849234
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867245
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 107638809
2-N-(1-methylpyrazol-3-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836931
2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106434022
4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 102807842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine (CID 80849853) is 2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2ccn(C)n2)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ONZXRDYOYKDXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-6-13-11-8-12(15-9(2)14-11)16-10-5-7-18(3)17-10/h5,7-8H,4,6H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine?
2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80849853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).