2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C12H10ClN5 — CID 135191494

IUPAC2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2[nH]cc(-c3ccncc3)c12
InChIInChI=1S/C12H10ClN5/c1-14-10-9-8(7-2-4-15-5-3-7)6-16-11(9)18-12(13)17-10/h2-6H,1H3,(H2,14,16,17,18)
InChIKeyNBCBZLYSTKYMHV-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.71
Rot. Bonds2

About 2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 135191494) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID135191494
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2[nH]cc(-c3ccncc3)c12
InChIInChI=1S/C12H10ClN5/c1-14-10-9-8(7-2-4-15-5-3-7)6-16-11(9)18-12(13)17-10/h2-6H,1H3,(H2,14,16,17,18)
InChIKeyNBCBZLYSTKYMHV-UHFFFAOYSA-N
XLogP2.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066336
2-chloro-4-(pyridin-4-ylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 134480773
2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134480862
2-chloro-5-(4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 93214424
N-methyl-5-pyridin-4-ylpyrimidin-4-amine
CID 83697189
2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol
CID 131502833
2-cyclopropyl-N,5-dimethyl-6-pyridin-4-ylpyrimidin-4-amine
CID 80975742
2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine
CID 114693468
5-chloro-3-pyridin-4-yl-1H-pyridin-2-one
CID 46315317
2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
CID 135374250
5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 171621163
N-methyl-5-pyridin-4-ylpyridin-2-amine
CID 12774637

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 135191494) is 2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CNc1nc(Cl)nc2[nH]cc(-c3ccncc3)c12.
What is the InChIKey of 2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NBCBZLYSTKYMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c1-14-10-9-8(7-2-4-15-5-3-7)6-16-11(9)18-12(13)17-10/h2-6H,1H3,(H2,14,16,17,18).
What are the key properties of 2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 259.70 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135191494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).