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

C17H22N4O2 — CID 137273786

IUPAC2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOC1(CNc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)CCC1
InChIInChI=1S/C17H22N4O2/c1-11-12(2)20-15(21-16(11)22)13-5-6-14(18-9-13)19-10-17(23-3)7-4-8-17/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19)(H,20,21,22)
InChIKeyNGVQQYXTDZTRJL-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.43
Rot. Bonds5

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

2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137273786) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137273786
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOC1(CNc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)CCC1
InChIInChI=1S/C17H22N4O2/c1-11-12(2)20-15(21-16(11)22)13-5-6-14(18-9-13)19-10-17(23-3)7-4-8-17/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19)(H,20,21,22)
InChIKeyNGVQQYXTDZTRJL-UHFFFAOYSA-N
XLogP2.43
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137274924
2-[6-[2-(azepan-1-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137263013
2-[6-[(2-hydroxycyclopentyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275514
2-[6-[(3-hydroxy-4-methoxybutyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273705
2-[6-[(3-methoxycyclopentyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269550
4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264931
2-[6-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275396
4,5-dimethyl-2-[6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137274914
2-[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 137061342
4,5-dimethyl-2-[6-(6-methylheptan-2-ylamino)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137262944
2-[6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137268895
4-[[[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
CID 137274775

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137273786) is 2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is COC1(CNc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)CCC1.
What is the InChIKey of 2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is NGVQQYXTDZTRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-12(2)20-15(21-16(11)22)13-5-6-14(18-9-13)19-10-17(23-3)7-4-8-17/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19)(H,20,21,22).
What are the key properties of 2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 314.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137273786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).