4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one

C17H22N4O — CID 127443520

IUPAC4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(CNc2ncnc3c2CCCCC3)c(=O)[nH]1
InChIInChI=1S/C17H22N4O/c1-11-8-12(2)21-17(22)14(11)9-18-16-13-6-4-3-5-7-15(13)19-10-20-16/h8,10H,3-7,9H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyKJTOQLPYRXKJQW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.66
Rot. Bonds3

About 4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one

4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one (PubChem CID 127443520) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one
PubChem CID127443520
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(CNc2ncnc3c2CCCCC3)c(=O)[nH]1
InChIInChI=1S/C17H22N4O/c1-11-8-12(2)21-17(22)14(11)9-18-16-13-6-4-3-5-7-15(13)19-10-20-16/h8,10H,3-7,9H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyKJTOQLPYRXKJQW-UHFFFAOYSA-N
XLogP2.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

4-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181611
N-[(3-methyl-4-pyridinyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114700770
N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62833504
N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 64693026
N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)ethanesulfonamide
CID 102675424
N-[(6-methyl-3-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55142080
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831686
N-(2-chloro-3-methylbutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113492831
N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63306311
N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 78925626
N-(3-methylpentan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114174318

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one (CID 127443520) is 4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one is Cc1cc(C)c(CNc2ncnc3c2CCCCC3)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one?
The InChIKey is KJTOQLPYRXKJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-8-12(2)21-17(22)14(11)9-18-16-13-6-4-3-5-7-15(13)19-10-20-16/h8,10H,3-7,9H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of 4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 127443520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).