5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine

C10H13ClN6 — CID 114250731

IUPAC5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCC(C)n1ccc(Nc2nc(N)ncc2Cl)n1
InChIInChI=1S/C10H13ClN6/c1-6(2)17-4-3-8(16-17)14-9-7(11)5-13-10(12)15-9/h3-6H,1-2H3,(H3,12,13,14,15,16)
InChIKeyGMCRWRUYPGQYBK-UHFFFAOYSA-N
MW252.71 g/mol
LogP2.23
Rot. Bonds3

About 5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine

5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 114250731) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID114250731
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCC(C)n1ccc(Nc2nc(N)ncc2Cl)n1
InChIInChI=1S/C10H13ClN6/c1-6(2)17-4-3-8(16-17)14-9-7(11)5-13-10(12)15-9/h3-6H,1-2H3,(H3,12,13,14,15,16)
InChIKeyGMCRWRUYPGQYBK-UHFFFAOYSA-N
XLogP2.23
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine
CID 114251516
4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine
CID 130496011
5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 114250932
6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251632
5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80760078
5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 80761203
6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine
CID 114251639
5-bromo-4-N-(1-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 80850079
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80769033
6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251640
5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114250770
6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114250773

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine (CID 114250731) is 5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine is CC(C)n1ccc(Nc2nc(N)ncc2Cl)n1.
What is the InChIKey of 5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is GMCRWRUYPGQYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-6(2)17-4-3-8(16-17)14-9-7(11)5-13-10(12)15-9/h3-6H,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 252.71 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114250731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).