2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

C14H23N3O2 — CID 136773870

IUPAC2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CNC(C)C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C14H23N3O2/c1-10(2)15-9-11-8-12(18)17-13(16-11)14(19-3)6-4-5-7-14/h8,10,15H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyCIHMWOQDFQJCTI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.68
Rot. Bonds5

About 2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 136773870) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID136773870
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CNC(C)C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C14H23N3O2/c1-10(2)15-9-11-8-12(18)17-13(16-11)14(19-3)6-4-5-7-14/h8,10,15H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyCIHMWOQDFQJCTI-UHFFFAOYSA-N
XLogP1.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136095487
4-[(2-methoxyethylamino)methyl]-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
CID 136249997
2-(3-ethylcyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136252057
2-(2-methoxypropan-2-yl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136279384
4-(ethylaminomethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136279386
2-(2-methoxypropan-2-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136279387
2-(2-methoxypropan-2-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136279391
4-(aminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136288564
4-(methylaminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136288565
4-(ethylaminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136288566
2-(2-methyloxan-2-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136288568
2-(2-methyloxan-2-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136288572

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 136773870) is 2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is COC1(c2nc(CNC(C)C)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is CIHMWOQDFQJCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)15-9-11-8-12(18)17-13(16-11)14(19-3)6-4-5-7-14/h8,10,15H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136773870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).