2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one

C13H20N2O2 — CID 136951892

IUPAC2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C(C)C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C13H20N2O2/c1-9(2)10-8-11(16)15-12(14-10)13(17-3)6-4-5-7-13/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeySRSBDUGZEPKJRQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.31
Rot. Bonds3

About 2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one

2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136951892) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136951892
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C(C)C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C13H20N2O2/c1-9(2)10-8-11(16)15-12(14-10)13(17-3)6-4-5-7-13/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeySRSBDUGZEPKJRQ-UHFFFAOYSA-N
XLogP2.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-6-ethylpyrimidin-4(3H)-one
CID 136085107
2-cyclopentyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 136085108
2-(oxolan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136274224
2-(2-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136286928
4-ethyl-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136286934
2-(2-methoxypropan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136286935
2-(2-methyloxan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136287884
4-tert-butyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287886
4-ethyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287887
2-(2-methyloxan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136287889
4-cyclopropyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287909
2-(2-methyloxan-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136287917

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136951892) is 2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one is COC1(c2nc(C(C)C)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is SRSBDUGZEPKJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)10-8-11(16)15-12(14-10)13(17-3)6-4-5-7-13/h8-9H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136951892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).