2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one

C16H26N2O2 — CID 136963734

IUPAC2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(C(C)C)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-11(2)13-12(3)17-15(18-14(13)19)16(20-4)9-7-5-6-8-10-16/h11H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyLXSRRUUTJGZYEJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.40
Rot. Bonds3

About 2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one

2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136963734) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136963734
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(C(C)C)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-11(2)13-12(3)17-15(18-14(13)19)16(20-4)9-7-5-6-8-10-16/h11H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyLXSRRUUTJGZYEJ-UHFFFAOYSA-N
XLogP3.40
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773826
5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136951896
4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
CID 136960402
2-(1-methoxycyclopentyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136773820
2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963554
4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 136963968
5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963886
5-bromo-2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136964025
2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764326
2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475343
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136983398
5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705746

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one (CID 136963734) is 2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one is COC1(c2nc(C)c(C(C)C)c(=O)[nH]2)CCCCCC1.
What is the InChIKey of 2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is LXSRRUUTJGZYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)13-12(3)17-15(18-14(13)19)16(20-4)9-7-5-6-8-10-16/h11H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one?
2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).