2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C19H26N4O2S — CID 137269920

IUPAC2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCCS(=O)C1CCCC(Nc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)C1
InChIInChI=1S/C19H26N4O2S/c1-4-26(25)16-7-5-6-15(10-16)22-17-9-8-14(11-20-17)18-21-13(3)12(2)19(24)23-18/h8-9,11,15-16H,4-7,10H2,1-3H3,(H,20,22)(H,21,23,24)
InChIKeyJKICKSMHNJHKIG-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.94
Rot. Bonds5

About 2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137269920) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137269920
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCCS(=O)C1CCCC(Nc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)C1
InChIInChI=1S/C19H26N4O2S/c1-4-26(25)16-7-5-6-15(10-16)22-17-9-8-14(11-20-17)18-21-13(3)12(2)19(24)23-18/h8-9,11,15-16H,4-7,10H2,1-3H3,(H,20,22)(H,21,23,24)
InChIKeyJKICKSMHNJHKIG-UHFFFAOYSA-N
XLogP2.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269550
4,5-dimethyl-2-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137248401
2-[6-[(2-hydroxycyclopentyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275514
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137268094
N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133338051
N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
CID 133403997
N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine
CID 136530984
2-[6-[2-(azepan-1-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137263013
2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine
CID 133336298
6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine
CID 133338043
4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268740

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137269920) is 2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is CCS(=O)C1CCCC(Nc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)C1.
What is the InChIKey of 2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is JKICKSMHNJHKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-4-26(25)16-7-5-6-15(10-16)22-17-9-8-14(11-20-17)18-21-13(3)12(2)19(24)23-18/h8-9,11,15-16H,4-7,10H2,1-3H3,(H,20,22)(H,21,23,24).
What are the key properties of 2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 374.51 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137269920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).