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

C13H19N5 — CID 106715837

IUPAC2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCCc1nc(NC)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C13H19N5/c1-4-5-6-12-16-11(7-13(14-2)17-12)10-8-15-18(3)9-10/h7-9H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyDSSVAIRBIMQXDM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.26
Rot. Bonds5

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

2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 106715837) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID106715837
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCCc1nc(NC)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C13H19N5/c1-4-5-6-12-16-11(7-13(14-2)17-12)10-8-15-18(3)9-10/h7-9H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyDSSVAIRBIMQXDM-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80945798
2-butyl-N-methyl-6-phenylpyrimidin-4-amine
CID 79412255
N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine
CID 106716024
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
[2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716130
N-methyl-6-(1-methylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 106716000
methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate
CID 106715741
N-methyl-6-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 106715810
N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
6-ethyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 62201696
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
N-methyl-6-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716022

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 106715837) is 2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is CCCCc1nc(NC)cc(-c2cnn(C)c2)n1.
What is the InChIKey of 2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is DSSVAIRBIMQXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-5-6-12-16-11(7-13(14-2)17-12)10-8-15-18(3)9-10/h7-9H,4-6H2,1-3H3,(H,14,16,17).
What are the key properties of 2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 106715837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).