5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine

C15H15ClN6O — CID 122138740

IUPAC5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(-n2ccc(CNc3ncnc(N)c3Cl)n2)cc1
InChIInChI=1S/C15H15ClN6O/c1-23-12-4-2-11(3-5-12)22-7-6-10(21-22)8-18-15-13(16)14(17)19-9-20-15/h2-7,9H,8H2,1H3,(H3,17,18,19,20)
InChIKeyMRLRKQNUEJLYIB-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.52
Rot. Bonds5

About 5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine

5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine (PubChem CID 122138740) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine
PubChem CID122138740
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(-n2ccc(CNc3ncnc(N)c3Cl)n2)cc1
InChIInChI=1S/C15H15ClN6O/c1-23-12-4-2-11(3-5-12)22-7-6-10(21-22)8-18-15-13(16)14(17)19-9-20-15/h2-7,9H,8H2,1H3,(H3,17,18,19,20)
InChIKeyMRLRKQNUEJLYIB-UHFFFAOYSA-N
XLogP2.52
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine
CID 139010286
3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile
CID 133284092
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 133309651
4-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-(trifluoromethyl)benzenesulfonamide
CID 133291403
[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587234
4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one
CID 133309689
(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride
CID 119302651
2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide
CID 120987280
2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine
CID 133442724
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide
CID 119747670
5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 138998692
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111599317

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine (CID 122138740) is 5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine is COc1ccc(-n2ccc(CNc3ncnc(N)c3Cl)n2)cc1.
What is the InChIKey of 5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine?
The InChIKey is MRLRKQNUEJLYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c1-23-12-4-2-11(3-5-12)22-7-6-10(21-22)8-18-15-13(16)14(17)19-9-20-15/h2-7,9H,8H2,1H3,(H3,17,18,19,20).
What are the key properties of 5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine has a molecular weight of 330.78 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 122138740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).