2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H19ClN4 — CID 110430830

IUPAC2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(-c2cccc(Cl)c2)nc2[nH]c(C)cc12
InChIInChI=1S/C17H19ClN4/c1-4-22(5-2)17-14-9-11(3)19-16(14)20-15(21-17)12-7-6-8-13(18)10-12/h6-10H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyHTEFBTSCAYIHLY-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.43
Rot. Bonds4

About 2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430830) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430830
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(-c2cccc(Cl)c2)nc2[nH]c(C)cc12
InChIInChI=1S/C17H19ClN4/c1-4-22(5-2)17-14-9-11(3)19-16(14)20-15(21-17)12-7-6-8-13(18)10-12/h6-10H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyHTEFBTSCAYIHLY-UHFFFAOYSA-N
XLogP4.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-6-methyl-N-pentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430988
N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430829
N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209
2-(3-chlorophenyl)-6-methyl-N-(oxolan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431147
2-[2-[[2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 110431195
2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10215487
4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol
CID 110431245
4-chloro-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidine;2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1H-imidazol-5-yl)ethanamine
CID 158427682
5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 66307616
2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine
CID 899344
2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63561739
2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045730

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430830) is 2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCN(CC)c1nc(-c2cccc(Cl)c2)nc2[nH]c(C)cc12.
What is the InChIKey of 2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HTEFBTSCAYIHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-4-22(5-2)17-14-9-11(3)19-16(14)20-15(21-17)12-7-6-8-13(18)10-12/h6-10H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 314.82 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).