6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine

C14H16N6O — CID 10826909

IUPAC6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine
SMILESCOc1ccc(C2=Nc3c(N)nc(N)nc3NCC2)cc1
InChIInChI=1S/C14H16N6O/c1-21-9-4-2-8(3-5-9)10-6-7-17-13-11(18-10)12(15)19-14(16)20-13/h2-5H,6-7H2,1H3,(H5,15,16,17,19,20)
InChIKeyLZUDJIXQHCXYLO-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.59
Rot. Bonds2

About 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine

6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine (PubChem CID 10826909) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine
PubChem CID10826909
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine
SMILESCOc1ccc(C2=Nc3c(N)nc(N)nc3NCC2)cc1
InChIInChI=1S/C14H16N6O/c1-21-9-4-2-8(3-5-9)10-6-7-17-13-11(18-10)12(15)19-14(16)20-13/h2-5H,6-7H2,1H3,(H5,15,16,17,19,20)
InChIKeyLZUDJIXQHCXYLO-UHFFFAOYSA-N
XLogP1.59
TPSA111.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine with MolForge

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Related Compounds

8-(2,4-dichloro-1,3-thiazol-5-yl)-6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine
CID 118732451
4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 4266444
2-(benzylamino)-6-(4-methoxyphenyl)-3-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one
CID 139217225
3-(4-methoxyphenyl)-1,4,5,6-tetrahydropyridazine
CID 10702855
5-cyclopropyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 174851736
4-(2,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 3340685
6-(4-methoxyphenyl)quinolin-4-amine
CID 91074771
2,6-diamino-5-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 15556162
2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole
CID 82090815
3-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 39083051
6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine
CID 64692181
4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 55250868

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine?
The IUPAC name of 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine (CID 10826909) is 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine.
What is the SMILES notation for 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine?
The canonical SMILES for 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine is COc1ccc(C2=Nc3c(N)nc(N)nc3NCC2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine?
The InChIKey is LZUDJIXQHCXYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-21-9-4-2-8(3-5-9)10-6-7-17-13-11(18-10)12(15)19-14(16)20-13/h2-5H,6-7H2,1H3,(H5,15,16,17,19,20).
What are the key properties of 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine?
6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine has a molecular weight of 284.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine is sourced from PubChem (CID 10826909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).