2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine

C16H23N5 — CID 80948335

IUPAC2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCNc1cc(-c2cnn(CCC)c2)nc(C2CC2)n1
InChIInChI=1S/C16H23N5/c1-3-7-17-15-9-14(19-16(20-15)12-5-6-12)13-10-18-21(11-13)8-4-2/h9-12H,3-8H2,1-2H3,(H,17,19,20)
InChIKeyIIVGNPRITWTEFJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.45
Rot. Bonds7

About 2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine

2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 80948335) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID80948335
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCNc1cc(-c2cnn(CCC)c2)nc(C2CC2)n1
InChIInChI=1S/C16H23N5/c1-3-7-17-15-9-14(19-16(20-15)12-5-6-12)13-10-18-21(11-13)8-4-2/h9-12H,3-8H2,1-2H3,(H,17,19,20)
InChIKeyIIVGNPRITWTEFJ-UHFFFAOYSA-N
XLogP3.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine
CID 80952004
2-cyclopropyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80962854
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80952552
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 80949383
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
CID 80949471
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80967188

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine (CID 80948335) is 2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine is CCCNc1cc(-c2cnn(CCC)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is IIVGNPRITWTEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-7-17-15-9-14(19-16(20-15)12-5-6-12)13-10-18-21(11-13)8-4-2/h9-12H,3-8H2,1-2H3,(H,17,19,20).
What are the key properties of 2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80948335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).