5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine

C10H12ClN5 — CID 105369599

IUPAC5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
SMILESClc1cncnc1NCCCn1cccn1
InChIInChI=1S/C10H12ClN5/c11-9-7-12-8-14-10(9)13-3-1-5-16-6-2-4-15-16/h2,4,6-8H,1,3,5H2,(H,12,13,14)
InChIKeyPXRUXLRLTMDOJN-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.83
Rot. Bonds5

About 5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine

5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine (PubChem CID 105369599) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
PubChem CID105369599
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
SMILESClc1cncnc1NCCCn1cccn1
InChIInChI=1S/C10H12ClN5/c11-9-7-12-8-14-10(9)13-3-1-5-16-6-2-4-15-16/h2,4,6-8H,1,3,5H2,(H,12,13,14)
InChIKeyPXRUXLRLTMDOJN-UHFFFAOYSA-N
XLogP1.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876
3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one
CID 115657026
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 105369555
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379
3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid
CID 113413256
5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112697448
N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 105369232
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
CID 113420539
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 105369215

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine (CID 105369599) is 5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine is Clc1cncnc1NCCCn1cccn1.
What is the InChIKey of 5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine?
The InChIKey is PXRUXLRLTMDOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c11-9-7-12-8-14-10(9)13-3-1-5-16-6-2-4-15-16/h2,4,6-8H,1,3,5H2,(H,12,13,14).
What are the key properties of 5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine?
5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine has a molecular weight of 237.69 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 105369599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).