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

C15H18N4O — CID 4266444

IUPAC4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
SMILESCOc1ccc(-c2nc(N)nc3c2CCCCN3)cc1
InChIInChI=1S/C15H18N4O/c1-20-11-7-5-10(6-8-11)13-12-4-2-3-9-17-14(12)19-15(16)18-13/h5-8H,2-4,9H2,1H3,(H3,16,17,18,19)
InChIKeyYUJVJQSZWUIHIV-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.48
Rot. Bonds2

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

4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine (PubChem CID 4266444) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
PubChem CID4266444
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
SMILESCOc1ccc(-c2nc(N)nc3c2CCCCN3)cc1
InChIInChI=1S/C15H18N4O/c1-20-11-7-5-10(6-8-11)13-12-4-2-3-9-17-14(12)19-15(16)18-13/h5-8H,2-4,9H2,1H3,(H3,16,17,18,19)
InChIKeyYUJVJQSZWUIHIV-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-(4-iodophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 4654987
4-(2,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 3340685
4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 3686497
4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 5244130
4-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 5022945
4-(2,3-dichlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 3584449
1,3-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 5174718
6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine
CID 10826909
4-[(4-methoxyphenyl)methyl]-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3993026
3-amino-1-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 23823826
1-(2-fluorophenyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4621146
1-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 5137397

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine (CID 4266444) is 4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine is COc1ccc(-c2nc(N)nc3c2CCCCN3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine?
The InChIKey is YUJVJQSZWUIHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-11-7-5-10(6-8-11)13-12-4-2-3-9-17-14(12)19-15(16)18-13/h5-8H,2-4,9H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine?
4-(4-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-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine is sourced from PubChem (CID 4266444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).