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

C14H13ClN4 — CID 166634270

IUPAC5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
InChIInChI=1S/C14H13ClN4/c1-19(2)14-12-11(7-16-13(12)17-8-18-14)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H,16,17,18)
InChIKeyQGACVLPEELTUQG-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.34
Rot. Bonds2

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

5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166634270) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166634270
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12
InChIInChI=1S/C14H13ClN4/c1-19(2)14-12-11(7-16-13(12)17-8-18-14)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H,16,17,18)
InChIKeyQGACVLPEELTUQG-UHFFFAOYSA-N
XLogP3.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 18792935
3-[[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-1-ol
CID 166634086
3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 72706841
1-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 166632963
3-[4-(dimethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzonitrile
CID 72706401
4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 11499595
4-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 74221294
N-methyl-3-[5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]aniline
CID 134547773
3-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 72706341
5-(4-bromophenyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
CID 139222824
5-(4-chlorophenyl)-N-(3-ethynylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 18473286
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 168933989

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 166634270) is 5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(C)c1ncnc2[nH]cc(-c3cccc(Cl)c3)c12.
What is the InChIKey of 5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QGACVLPEELTUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-19(2)14-12-11(7-16-13(12)17-8-18-14)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 272.74 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166634270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).