N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C15H15ClN4 — CID 13498036

IUPACN-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2cccc(Cl)c2)c2c(C)c(C)[nH]c2n1
InChIInChI=1S/C15H15ClN4/c1-8-9(2)17-14-13(8)15(19-10(3)18-14)20-12-6-4-5-11(16)7-12/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyCOGUPEULZDCJHM-UHFFFAOYSA-N
MW286.77 g/mol
LogP4.28
Rot. Bonds2

About N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 13498036) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID13498036
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC NameN-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2cccc(Cl)c2)c2c(C)c(C)[nH]c2n1
InChIInChI=1S/C15H15ClN4/c1-8-9(2)17-14-13(8)15(19-10(3)18-14)20-12-6-4-5-11(16)7-12/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyCOGUPEULZDCJHM-UHFFFAOYSA-N
XLogP4.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10616753
N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 16627283
4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 112877996
3-chloro-N-(3-chlorophenyl)isoquinolin-1-amine
CID 57429047
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878014
6-chloro-2,5-dimethyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734213
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292
1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297856
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118
4-[[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878011
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 13498036) is N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(Nc2cccc(Cl)c2)c2c(C)c(C)[nH]c2n1.
What is the InChIKey of N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is COGUPEULZDCJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-8-9(2)17-14-13(8)15(19-10(3)18-14)20-12-6-4-5-11(16)7-12/h4-7H,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 286.77 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 13498036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).