N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

C14H14N4O — CID 71188369

IUPACN-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3ccn(C)c23)cc1
InChIInChI=1S/C14H14N4O/c1-18-8-7-12-13(18)14(16-9-15-12)17-10-3-5-11(19-2)6-4-10/h3-9H,1-2H3,(H,15,16,17)
InChIKeyXOBGOMUJNZDMAJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.72
Rot. Bonds3

About N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 71188369) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID71188369
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3ccn(C)c23)cc1
InChIInChI=1S/C14H14N4O/c1-18-8-7-12-13(18)14(16-9-15-12)17-10-3-5-11(19-2)6-4-10/h3-9H,1-2H3,(H,15,16,17)
InChIKeyXOBGOMUJNZDMAJ-UHFFFAOYSA-N
XLogP2.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(6-methyl-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 163563267
N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline
CID 143388806
N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
CID 12843607
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145
N-[3-chloro-4-[3-(trifluoromethoxy)phenoxy]phenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
CID 56849561
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene
CID 143477774
5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040
N-[3-methoxy-5-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]acetamide
CID 170566547
5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 66341469
1-(4-methoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069951

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (CID 71188369) is N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3ccn(C)c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is XOBGOMUJNZDMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-8-7-12-13(18)14(16-9-15-12)17-10-3-5-11(19-2)6-4-10/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 254.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 71188369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).