4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine

C17H14ClN7O — CID 174340828

IUPAC4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine
SMILESNC(=O)c1cc2c(Nc3cccc(Cl)c3)ncnc2[nH]1.c1cncnc1
InChIInChI=1S/C13H10ClN5O.C4H4N2/c14-7-2-1-3-8(4-7)18-12-9-5-10(11(15)20)19-13(9)17-6-16-12;1-2-5-4-6-3-1/h1-6H,(H2,15,20)(H2,16,17,18,19);1-4H
InChIKeyVOAAUXLJQUDSGO-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.93
Rot. Bonds3

About 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine

4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine (PubChem CID 174340828) has the molecular formula C17H14ClN7O and a molecular weight of 367.80 g/mol. Its IUPAC name is 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine.

Molecular Properties

Compound Name4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine
PubChem CID174340828
Molecular FormulaC17H14ClN7O
Molecular Weight367.80 g/mol
Exact Mass367.09
IUPAC Name4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine
SMILESNC(=O)c1cc2c(Nc3cccc(Cl)c3)ncnc2[nH]1.c1cncnc1
InChIInChI=1S/C13H10ClN5O.C4H4N2/c14-7-2-1-3-8(4-7)18-12-9-5-10(11(15)20)19-13(9)17-6-16-12;1-2-5-4-6-3-1/h1-6H,(H2,15,20)(H2,16,17,18,19);1-4H
InChIKeyVOAAUXLJQUDSGO-UHFFFAOYSA-N
XLogP2.93
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 23282803
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
3-amino-3-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]pentane-1,5-diol
CID 21262649
ethyl 3-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzoate
CID 23282776
1-[4-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-3-ethylurea
CID 54337489
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-(3-chloroanilino)pyrimidine-5-carboxylic acid
CID 28906082
4-N-(3-chlorophenyl)-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 23482003

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine?
The IUPAC name of 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine (CID 174340828) is 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine.
What is the SMILES notation for 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine?
The canonical SMILES for 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine is NC(=O)c1cc2c(Nc3cccc(Cl)c3)ncnc2[nH]1.c1cncnc1.
What is the InChIKey of 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine?
The InChIKey is VOAAUXLJQUDSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O.C4H4N2/c14-7-2-1-3-8(4-7)18-12-9-5-10(11(15)20)19-13(9)17-6-16-12;1-2-5-4-6-3-1/h1-6H,(H2,15,20)(H2,16,17,18,19);1-4H.
What are the key properties of 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine?
4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine has a molecular weight of 367.80 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine is sourced from PubChem (CID 174340828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).