6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine

C13H18ClN5 — CID 114251639

IUPAC6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccn(C(C)C)n1
InChIInChI=1S/C13H18ClN5/c1-4-5-10-12(14)15-8-16-13(10)17-11-6-7-19(18-11)9(2)3/h6-9H,4-5H2,1-3H3,(H,15,16,17,18)
InChIKeyQCAHAYZZGQTKRW-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.60
Rot. Bonds5

About 6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine

6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine (PubChem CID 114251639) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine
PubChem CID114251639
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1ccn(C(C)C)n1
InChIInChI=1S/C13H18ClN5/c1-4-5-10-12(14)15-8-16-13(10)17-11-6-7-19(18-11)9(2)3/h6-9H,4-5H2,1-3H3,(H,15,16,17,18)
InChIKeyQCAHAYZZGQTKRW-UHFFFAOYSA-N
XLogP3.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(1-methylpyrazol-3-yl)-5-propylpyrimidin-4-amine
CID 79779291
6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251632
5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114250770
6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251640
4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine
CID 130496011
6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114250773
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine
CID 114251516
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 114250731
6-chloro-N-(2,4-dibromophenyl)-5-propylpyrimidin-4-amine
CID 63727953

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine (CID 114251639) is 6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1ccn(C(C)C)n1.
What is the InChIKey of 6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine?
The InChIKey is QCAHAYZZGQTKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-4-5-10-12(14)15-8-16-13(10)17-11-6-7-19(18-11)9(2)3/h6-9H,4-5H2,1-3H3,(H,15,16,17,18).
What are the key properties of 6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine?
6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine has a molecular weight of 279.77 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 114251639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).