N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H11ClN4O — CID 69190382

IUPACN-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C13H11ClN4O/c1-19-11-3-2-8(14)6-10(11)18-13-9-4-5-15-12(9)16-7-17-13/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyDVVKYRUJLGGWLY-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.36
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 69190382) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID69190382
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C13H11ClN4O/c1-19-11-3-2-8(14)6-10(11)18-13-9-4-5-15-12(9)16-7-17-13/h2-7H,1H3,(H2,15,16,17,18)
InChIKeyDVVKYRUJLGGWLY-UHFFFAOYSA-N
XLogP3.36
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435164
N-[4-(2,4-dichlorophenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166464576
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970535
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 22546108
N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875231
6-N-(4-butoxyphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22545988
4-N-(4-chloro-2-iodophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 107639119
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
N-[4-[[5-amino-6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 22546092
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 69190382) is N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(Cl)cc1Nc1ncnc2[nH]ccc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DVVKYRUJLGGWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-19-11-3-2-8(14)6-10(11)18-13-9-4-5-15-12(9)16-7-17-13/h2-7H,1H3,(H2,15,16,17,18).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 274.71 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69190382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).