2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one

C18H23N5O — CID 126935702

IUPAC2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3ncccn3)CC1)CCCC2
InChIInChI=1S/C18H23N5O/c24-17-12-13-4-1-2-5-16(13)22-23(17)15-8-6-14(7-9-15)21-18-19-10-3-11-20-18/h3,10-12,14-15H,1-2,4-9H2,(H,19,20,21)
InChIKeyTWGIGKIYECIXBA-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.51
Rot. Bonds3

About 2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126935702) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126935702
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3ncccn3)CC1)CCCC2
InChIInChI=1S/C18H23N5O/c24-17-12-13-4-1-2-5-16(13)22-23(17)15-8-6-14(7-9-15)21-18-19-10-3-11-20-18/h3,10-12,14-15H,1-2,4-9H2,(H,19,20,21)
InChIKeyTWGIGKIYECIXBA-UHFFFAOYSA-N
XLogP2.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935481
2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935391
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935715
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935839
2-[4-[(1-methyl-6-oxopyridazin-3-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935562
2-[4-(cyclopropylmethylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935392
2-[4-(thian-4-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935544
2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935418
2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935733
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 126935356
2-[4-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935813
2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935801

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126935702) is 2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1C1CCC(Nc3ncccn3)CC1)CCCC2.
What is the InChIKey of 2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is TWGIGKIYECIXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-17-12-13-4-1-2-5-16(13)22-23(17)15-8-6-14(7-9-15)21-18-19-10-3-11-20-18/h3,10-12,14-15H,1-2,4-9H2,(H,19,20,21).
What are the key properties of 2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 325.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126935702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).