2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine

C13H14ClN3O2 — CID 11844762

IUPAC2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(CNc2ccnc(Cl)n2)c1
InChIInChI=1S/C13H14ClN3O2/c1-18-10-3-4-11(19-2)9(7-10)8-16-12-5-6-15-13(14)17-12/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyZCTGCFMFDXYJPP-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.76
Rot. Bonds5

About 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine

2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 11844762) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID11844762
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(CNc2ccnc(Cl)n2)c1
InChIInChI=1S/C13H14ClN3O2/c1-18-10-3-4-11(19-2)9(7-10)8-16-12-5-6-15-13(14)17-12/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyZCTGCFMFDXYJPP-UHFFFAOYSA-N
XLogP2.76
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine
CID 91609637
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
CID 22308410
4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 56811795
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112673
6-[(2,5-dimethoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 154758297
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112672
2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
2-chloro-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 118425010
3-chloro-N-[(2,5-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818380

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine (CID 11844762) is 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine is COc1ccc(OC)c(CNc2ccnc(Cl)n2)c1.
What is the InChIKey of 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is ZCTGCFMFDXYJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-18-10-3-4-11(19-2)9(7-10)8-16-12-5-6-15-13(14)17-12/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine?
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 279.73 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 11844762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).