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

C16H18N4O — CID 73353880

IUPACN-(4-methoxyphenyl)-N,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3cc(C)[nH]c23)cc1
InChIInChI=1S/C16H18N4O/c1-10-9-14-15(17-10)16(19-11(2)18-14)20(3)12-5-7-13(21-4)8-6-12/h5-9,17H,1-4H3
InChIKeyBGBCYVSCKFJAPG-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.35
Rot. Bonds3

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

N-(4-methoxyphenyl)-N,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 73353880) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID73353880
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(4-methoxyphenyl)-N,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3cc(C)[nH]c23)cc1
InChIInChI=1S/C16H18N4O/c1-10-9-14-15(17-10)16(19-11(2)18-14)20(3)12-5-7-13(21-4)8-6-12/h5-9,17H,1-4H3
InChIKeyBGBCYVSCKFJAPG-UHFFFAOYSA-N
XLogP3.35
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.35
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,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 73353880) is N-(4-methoxyphenyl)-N,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine is COc1ccc(N(C)c2nc(C)nc3cc(C)[nH]c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is BGBCYVSCKFJAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-9-14-15(17-10)16(19-11(2)18-14)20(3)12-5-7-13(21-4)8-6-12/h5-9,17H,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-N,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-N,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 3.35, 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,2,6-trimethyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 73353880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).