N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine

C20H22ClN5 — CID 133432325

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
SMILESCc1nn(Cc2ccccc2)c(C)c1CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C20H22ClN5/c1-13-17(14(2)26(25-13)12-15-6-4-3-5-7-15)11-22-19-10-18(21)23-20(24-19)16-8-9-16/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,22,23,24)
InChIKeyNJCCXQMNKZGLAY-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.48
Rot. Bonds6

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine (PubChem CID 133432325) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
PubChem CID133432325
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
SMILESCc1nn(Cc2ccccc2)c(C)c1CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C20H22ClN5/c1-13-17(14(2)26(25-13)12-15-6-4-3-5-7-15)11-22-19-10-18(21)23-20(24-19)16-8-9-16/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,22,23,24)
InChIKeyNJCCXQMNKZGLAY-UHFFFAOYSA-N
XLogP4.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463214
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969286
6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 103879876
6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
CID 133432328
6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
CID 133432685
N-[[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43648043
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine
CID 133299001
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417774

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine (CID 133432325) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine is Cc1nn(Cc2ccccc2)c(C)c1CNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine?
The InChIKey is NJCCXQMNKZGLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-13-17(14(2)26(25-13)12-15-6-4-3-5-7-15)11-22-19-10-18(21)23-20(24-19)16-8-9-16/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,22,23,24).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine has a molecular weight of 367.88 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 133432325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).