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

C17H19ClN4 — CID 110430829

IUPACN-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCC(C)Nc1nc(-c2cccc(Cl)c2)nc2[nH]c(C)cc12
InChIInChI=1S/C17H19ClN4/c1-4-10(2)19-16-14-8-11(3)20-17(14)22-15(21-16)12-6-5-7-13(18)9-12/h5-10H,4H2,1-3H3,(H2,19,20,21,22)
InChIKeyAGLJAMWEMOXNLX-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.80
Rot. Bonds4

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

N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430829) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430829
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC NameN-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCC(C)Nc1nc(-c2cccc(Cl)c2)nc2[nH]c(C)cc12
InChIInChI=1S/C17H19ClN4/c1-4-10(2)19-16-14-8-11(3)20-17(14)22-15(21-16)12-6-5-7-13(18)9-12/h5-10H,4H2,1-3H3,(H2,19,20,21,22)
InChIKeyAGLJAMWEMOXNLX-UHFFFAOYSA-N
XLogP4.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.80
H-Bond Donors ≤ 52
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
2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430830
2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10215487
2-[2-[[2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 110431195
2-(3-chlorophenyl)-6-methyl-N-(oxolan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431147
N-butan-2-yl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430106
6-methyl-N-propan-2-yl-2-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155233683
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
N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 110431099
N-butan-2-yl-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961262
4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol
CID 110431245

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430829) is N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCC(C)Nc1nc(-c2cccc(Cl)c2)nc2[nH]c(C)cc12.
What is the InChIKey of N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AGLJAMWEMOXNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-4-10(2)19-16-14-8-11(3)20-17(14)22-15(21-16)12-6-5-7-13(18)9-12/h5-10H,4H2,1-3H3,(H2,19,20,21,22).
What are the key properties of N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 314.82 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-chlorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).