N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine

C10H9ClN4O — CID 118238004

IUPACN-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine
SMILESCOc1nccc(Nc2cc(Cl)ccn2)n1
InChIInChI=1S/C10H9ClN4O/c1-16-10-13-5-3-8(15-10)14-9-6-7(11)2-4-12-9/h2-6H,1H3,(H,12,13,14,15)
InChIKeyYQJRXDLABDSQMC-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.28
Rot. Bonds3

About N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine

N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine (PubChem CID 118238004) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine
PubChem CID118238004
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC NameN-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine
SMILESCOc1nccc(Nc2cc(Cl)ccn2)n1
InChIInChI=1S/C10H9ClN4O/c1-16-10-13-5-3-8(15-10)14-9-6-7(11)2-4-12-9/h2-6H,1H3,(H,12,13,14,15)
InChIKeyYQJRXDLABDSQMC-UHFFFAOYSA-N
XLogP2.28
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-methoxy-N-methylpyrimidin-4-amine
CID 169237983
N-(4-chloro-2-pyridinyl)-7-methyl-1,8-naphthyridin-2-amine
CID 118249117
N-(4-chloro-2-pyridinyl)pyrimidin-2-amine
CID 118249159
(4-chloro-2-pyridinyl)hydrazine;hydrochloride
CID 134830338
4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
CID 116903740
2-methoxy-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 166715805
N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 122499744
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
2-[(4-chloro-2-pyridinyl)amino]phenol
CID 175357814
4-chloro-N-(2-methyltetrazol-5-yl)pyridin-2-amine
CID 170352602
N-(4-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821777
methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate
CID 162756339

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine (CID 118238004) is N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine is COc1nccc(Nc2cc(Cl)ccn2)n1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine?
The InChIKey is YQJRXDLABDSQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-16-10-13-5-3-8(15-10)14-9-6-7(11)2-4-12-9/h2-6H,1H3,(H,12,13,14,15).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine?
N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine has a molecular weight of 236.66 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 118238004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).