N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene

C16H18N4O — CID 143477774

IUPACN-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene
SMILESC=CC.COc1ccc(Nc2ncnc3cc[nH]c23)cc1
InChIInChI=1S/C13H12N4O.C3H6/c1-18-10-4-2-9(3-5-10)17-13-12-11(6-7-14-12)15-8-16-13;1-3-2/h2-8,14H,1H3,(H,15,16,17);3H,1H2,2H3
InChIKeyQOVDIMUSOKXQMA-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.90
Rot. Bonds3

About N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene

N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene (PubChem CID 143477774) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene
PubChem CID143477774
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene
SMILESC=CC.COc1ccc(Nc2ncnc3cc[nH]c23)cc1
InChIInChI=1S/C13H12N4O.C3H6/c1-18-10-4-2-9(3-5-10)17-13-12-11(6-7-14-12)15-8-16-13;1-3-2/h2-8,14H,1H3,(H,15,16,17);3H,1H2,2H3
InChIKeyQOVDIMUSOKXQMA-UHFFFAOYSA-N
XLogP3.90
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
CID 12843607
N-benzyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;N-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 159372491
N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 71188369
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145
N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 141211598
2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 15629175
N-[3-chloro-4-(3-chlorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851430
N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide
CID 141390191
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
4-N-(4-methoxyphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486954
5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040
5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 66341469

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene?
The IUPAC name of N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene (CID 143477774) is N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene.
What is the SMILES notation for N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene?
The canonical SMILES for N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene is C=CC.COc1ccc(Nc2ncnc3cc[nH]c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene?
The InChIKey is QOVDIMUSOKXQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O.C3H6/c1-18-10-4-2-9(3-5-10)17-13-12-11(6-7-14-12)15-8-16-13;1-3-2/h2-8,14H,1H3,(H,15,16,17);3H,1H2,2H3.
What are the key properties of N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene?
N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene has a molecular weight of 282.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene is sourced from PubChem (CID 143477774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).