4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine

C13H14N4O — CID 5244130

IUPAC4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cccc(-c2nc(N)nc3c2CCN3)c1
InChIInChI=1S/C13H14N4O/c1-18-9-4-2-3-8(7-9)11-10-5-6-15-12(10)17-13(14)16-11/h2-4,7H,5-6H2,1H3,(H3,14,15,16,17)
InChIKeyZKLWXNGWKPLSTF-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.70
Rot. Bonds2

About 4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine

4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 5244130) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID5244130
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cccc(-c2nc(N)nc3c2CCN3)c1
InChIInChI=1S/C13H14N4O/c1-18-9-4-2-3-8(7-9)11-10-5-6-15-12(10)17-13(14)16-11/h2-4,7H,5-6H2,1H3,(H3,14,15,16,17)
InChIKeyZKLWXNGWKPLSTF-UHFFFAOYSA-N
XLogP1.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 4266444
3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647307
4-(2,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 3340685
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
1-(2,4-dichlorophenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4031121
1-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3939472
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
6-(3-methoxyphenyl)-5-(2-pyridin-3-ylethynyl)pyrimidine-2,4-diamine
CID 58513170
3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
CID 132588517
3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498783
2-(3-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 3771231

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 5244130) is 4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine is COc1cccc(-c2nc(N)nc3c2CCN3)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ZKLWXNGWKPLSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-18-9-4-2-3-8(7-9)11-10-5-6-15-12(10)17-13(14)16-11/h2-4,7H,5-6H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 242.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 5244130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).