N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine

C12H17N5 — CID 62904071

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1nccc(CNc2cnn(C(C)C)c2)n1
InChIInChI=1S/C12H17N5/c1-9(2)17-8-12(7-15-17)14-6-11-4-5-13-10(3)16-11/h4-5,7-9,14H,6H2,1-3H3
InChIKeyXFUQZUWZMUHYHU-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.17
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine

N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 62904071) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID62904071
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1nccc(CNc2cnn(C(C)C)c2)n1
InChIInChI=1S/C12H17N5/c1-9(2)17-8-12(7-15-17)14-6-11-4-5-13-10(3)16-11/h4-5,7-9,14H,6H2,1-3H3
InChIKeyXFUQZUWZMUHYHU-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dnl-201
CID 69093374
2-Methyl-2-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69092949
3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
2,2-Dimethyl-3-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69093123
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281523
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281678
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 137632745

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine (CID 62904071) is N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine is Cc1nccc(CNc2cnn(C(C)C)c2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is XFUQZUWZMUHYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(2)17-8-12(7-15-17)14-6-11-4-5-13-10(3)16-11/h4-5,7-9,14H,6H2,1-3H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62904071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).