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

C15H15ClN4 — CID 10541248

IUPACN-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ncnc(N(C)c3cccc(Cl)c3)c2c1C
InChIInChI=1S/C15H15ClN4/c1-9-10(2)19-14-13(9)15(18-8-17-14)20(3)12-6-4-5-11(16)7-12/h4-8H,1-3H3,(H,17,18,19)
InChIKeyQEVBDDTXWGEPBR-UHFFFAOYSA-N
MW286.77 g/mol
LogP4.00
Rot. Bonds2

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

N-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10541248) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10541248
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC NameN-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ncnc(N(C)c3cccc(Cl)c3)c2c1C
InChIInChI=1S/C15H15ClN4/c1-9-10(2)19-14-13(9)15(18-8-17-14)20(3)12-6-4-5-11(16)7-12/h4-8H,1-3H3,(H,17,18,19)
InChIKeyQEVBDDTXWGEPBR-UHFFFAOYSA-N
XLogP4.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 10541248) is N-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1[nH]c2ncnc(N(C)c3cccc(Cl)c3)c2c1C.
What is the InChIKey of N-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QEVBDDTXWGEPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-9-10(2)19-14-13(9)15(18-8-17-14)20(3)12-6-4-5-11(16)7-12/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of N-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 286.77 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10541248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).