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

C15H16N4O — CID 44612039

IUPACN-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3[nH]ccc23)cc1
InChIInChI=1S/C15H16N4O/c1-10-17-14-13(8-9-16-14)15(18-10)19(2)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3,(H,16,17,18)
InChIKeyHKPVMULFKBBABY-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.04
Rot. Bonds3

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

N-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 44612039) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID44612039
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3[nH]ccc23)cc1
InChIInChI=1S/C15H16N4O/c1-10-17-14-13(8-9-16-14)15(18-10)19(2)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3,(H,16,17,18)
InChIKeyHKPVMULFKBBABY-UHFFFAOYSA-N
XLogP3.04
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 44612039) is N-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(N(C)c2nc(C)nc3[nH]ccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HKPVMULFKBBABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-17-14-13(8-9-16-14)15(18-10)19(2)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of N-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 44612039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).