4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine

C15H18N4O — CID 3686497

IUPAC4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
SMILESCOc1ccccc1-c1nc(N)nc2c1CCCCN2
InChIInChI=1S/C15H18N4O/c1-20-12-8-3-2-6-10(12)13-11-7-4-5-9-17-14(11)19-15(16)18-13/h2-3,6,8H,4-5,7,9H2,1H3,(H3,16,17,18,19)
InChIKeyVZIDQABKQOGWAR-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.48
Rot. Bonds2

About 4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine

4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine (PubChem CID 3686497) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
PubChem CID3686497
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
SMILESCOc1ccccc1-c1nc(N)nc2c1CCCCN2
InChIInChI=1S/C15H18N4O/c1-20-12-8-3-2-6-10(12)13-11-7-4-5-9-17-14(11)19-15(16)18-13/h2-3,6,8H,4-5,7,9H2,1H3,(H3,16,17,18,19)
InChIKeyVZIDQABKQOGWAR-UHFFFAOYSA-N
XLogP2.48
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 3340685
4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 4266444
4-(2,3-dichlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 3584449
3-(2-methoxyphenyl)-1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3970333
4-(4-iodophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 4654987
4-(2,3-dimethoxyphenyl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione
CID 5226070
6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 15764367
4-cyclopropyl-6-(2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 63868741
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211251
2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile
CID 18507388
1-(2-methoxyphenyl)-3-(2-methylsulfanylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4538474
4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 5022945

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine?
The IUPAC name of 4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine (CID 3686497) is 4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine is COc1ccccc1-c1nc(N)nc2c1CCCCN2.
What is the InChIKey of 4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine?
The InChIKey is VZIDQABKQOGWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-12-8-3-2-6-10(12)13-11-7-4-5-9-17-14(11)19-15(16)18-13/h2-3,6,8H,4-5,7,9H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine?
4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine has a molecular weight of 270.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine is sourced from PubChem (CID 3686497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).