5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine

C11H14ClN5 — CID 114094517

IUPAC5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCC(C)c1nn(C)cc1Nc1ncncc1Cl
InChIInChI=1S/C11H14ClN5/c1-7(2)10-9(5-17(3)16-10)15-11-8(12)4-13-6-14-11/h4-7H,1-3H3,(H,13,14,15)
InChIKeyJWGUXCXNRPLEEC-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.73
Rot. Bonds3

About 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine

5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 114094517) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID114094517
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCC(C)c1nn(C)cc1Nc1ncncc1Cl
InChIInChI=1S/C11H14ClN5/c1-7(2)10-9(5-17(3)16-10)15-11-8(12)4-13-6-14-11/h4-7H,1-3H3,(H,13,14,15)
InChIKeyJWGUXCXNRPLEEC-UHFFFAOYSA-N
XLogP2.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
CID 114262574
5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 114262897
5-chloro-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 105369180
6-fluoro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)quinazolin-4-amine
CID 136539301
5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 114263243
6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 114263271
4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 114094516
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 107463701
2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine
CID 114262562
6-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 114263278
5-chloro-2-N-[2-cyclopropyloxy-4-(3,3-difluoro-1-methylpiperidin-4-yl)-5-methylphenyl]-4-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 144966586
5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine
CID 114262572

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (CID 114094517) is 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is CC(C)c1nn(C)cc1Nc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is JWGUXCXNRPLEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7(2)10-9(5-17(3)16-10)15-11-8(12)4-13-6-14-11/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 114094517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).