N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine

C14H21N5 — CID 106716024

IUPACN-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)c1nc(NC)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C14H21N5/c1-5-10(6-2)14-17-12(7-13(15-3)18-14)11-8-16-19(4)9-11/h7-10H,5-6H2,1-4H3,(H,15,17,18)
InChIKeyACJTYIJAYAGBSP-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.82
Rot. Bonds5

About N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine

N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine (PubChem CID 106716024) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine
PubChem CID106716024
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)c1nc(NC)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C14H21N5/c1-5-10(6-2)14-17-12(7-13(15-3)18-14)11-8-16-19(4)9-11/h7-10H,5-6H2,1-4H3,(H,15,17,18)
InChIKeyACJTYIJAYAGBSP-UHFFFAOYSA-N
XLogP2.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715837
N-methyl-6-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 106715810
6-ethyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 62201696
N-methyl-6-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716022
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
2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715801
N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 106715777
N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine
CID 106715813
N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80945798
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957808
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine (CID 106716024) is N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine is CCC(CC)c1nc(NC)cc(-c2cnn(C)c2)n1.
What is the InChIKey of N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine?
The InChIKey is ACJTYIJAYAGBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-10(6-2)14-17-12(7-13(15-3)18-14)11-8-16-19(4)9-11/h7-10H,5-6H2,1-4H3,(H,15,17,18).
What are the key properties of N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine?
N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 106716024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).