4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine

C18H24N4O — CID 166382908

IUPAC4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC2CCCc3ccc(OC)cc3C2)n1
InChIInChI=1S/C18H24N4O/c1-12-9-17(22-18(19-2)20-12)21-15-6-4-5-13-7-8-16(23-3)11-14(13)10-15/h7-9,11,15H,4-6,10H2,1-3H3,(H2,19,20,21,22)
InChIKeySWHNFKIPWCWALP-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.19
Rot. Bonds4

About 4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 166382908) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID166382908
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC2CCCc3ccc(OC)cc3C2)n1
InChIInChI=1S/C18H24N4O/c1-12-9-17(22-18(19-2)20-12)21-15-6-4-5-13-7-8-16(23-3)11-14(13)10-15/h7-9,11,15H,4-6,10H2,1-3H3,(H2,19,20,21,22)
InChIKeySWHNFKIPWCWALP-UHFFFAOYSA-N
XLogP3.19
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

2-(cyclopropylmethyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-6-methylpyrimidin-4-amine
CID 166382888
7-methoxy-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)quinolin-2-amine
CID 166382913
6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine
CID 166382927
4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
2-N,6-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80772502
4-N-cycloheptyl-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924534
2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80797834
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856009
N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597292
7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510289

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine (CID 166382908) is 4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(NC2CCCc3ccc(OC)cc3C2)n1.
What is the InChIKey of 4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is SWHNFKIPWCWALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12-9-17(22-18(19-2)20-12)21-15-6-4-5-13-7-8-16(23-3)11-14(13)10-15/h7-9,11,15H,4-6,10H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 166382908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).