2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine

C12H17N5 — CID 80852989

IUPAC2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-n2cc(C)cn2)nc(C)n1
InChIInChI=1S/C12H17N5/c1-4-5-13-11-6-12(16-10(3)15-11)17-8-9(2)7-14-17/h6-8H,4-5H2,1-3H3,(H,13,15,16)
InChIKeySTMGMNYJCHSAKQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds4

About 2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine

2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine (PubChem CID 80852989) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
PubChem CID80852989
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-n2cc(C)cn2)nc(C)n1
InChIInChI=1S/C12H17N5/c1-4-5-13-11-6-12(16-10(3)15-11)17-8-9(2)7-14-17/h6-8H,4-5H2,1-3H3,(H,13,15,16)
InChIKeySTMGMNYJCHSAKQ-UHFFFAOYSA-N
XLogP2.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-ethyl-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 80965817
N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868236
6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80965622
ethyl 1-[2-amino-6-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxylate
CID 81494171
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)
CID 140695209
2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 80765301
6-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 103541915
N-[[6-(4-methylpyrazol-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62294737
N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 99980110
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 112867225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine (CID 80852989) is 2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(-n2cc(C)cn2)nc(C)n1.
What is the InChIKey of 2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine?
The InChIKey is STMGMNYJCHSAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-5-13-11-6-12(16-10(3)15-11)17-8-9(2)7-14-17/h6-8H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of 2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine?
2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80852989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).