6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine

C18H18ClN5 — CID 133432685

IUPAC6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
SMILESClc1cc(NCc2ccccc2Cn2cccn2)nc(C2CC2)n1
InChIInChI=1S/C18H18ClN5/c19-16-10-17(23-18(22-16)13-6-7-13)20-11-14-4-1-2-5-15(14)12-24-9-3-8-21-24/h1-5,8-10,13H,6-7,11-12H2,(H,20,22,23)
InChIKeyGXVHBZOVEALANJ-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.86
Rot. Bonds6

About 6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 133432685) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID133432685
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC Name6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
SMILESClc1cc(NCc2ccccc2Cn2cccn2)nc(C2CC2)n1
InChIInChI=1S/C18H18ClN5/c19-16-10-17(23-18(22-16)13-6-7-13)20-11-14-4-1-2-5-15(14)12-24-9-3-8-21-24/h1-5,8-10,13H,6-7,11-12H2,(H,20,22,23)
InChIKeyGXVHBZOVEALANJ-UHFFFAOYSA-N
XLogP3.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine
CID 51120771
6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106832785
N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463214
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133432325
6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80953226
6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 103879876
3-tert-butyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488896
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 72863266
6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80950968
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
CID 80951077
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine (CID 133432685) is 6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine is Clc1cc(NCc2ccccc2Cn2cccn2)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is GXVHBZOVEALANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5/c19-16-10-17(23-18(22-16)13-6-7-13)20-11-14-4-1-2-5-15(14)12-24-9-3-8-21-24/h1-5,8-10,13H,6-7,11-12H2,(H,20,22,23).
What are the key properties of 6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 339.83 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133432685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).