2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one

C14H21N3O2 — CID 136738998

IUPAC2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1cc(=O)[nH]c(C2CC2)n1)C1CCOCC1
InChIInChI=1S/C14H21N3O2/c1-9(10-4-6-19-7-5-10)15-12-8-13(18)17-14(16-12)11-2-3-11/h8-11H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyQYVBYEFUHUCWNY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.87
Rot. Bonds4

About 2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136738998) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136738998
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1cc(=O)[nH]c(C2CC2)n1)C1CCOCC1
InChIInChI=1S/C14H21N3O2/c1-9(10-4-6-19-7-5-10)15-12-8-13(18)17-14(16-12)11-2-3-11/h8-11H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyQYVBYEFUHUCWNY-UHFFFAOYSA-N
XLogP1.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
CID 136674856
2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 114206334
2-cyclopropyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586347
4-(methylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274281
4-(ethylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274282
2-(oxan-4-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136274283
2-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136274284
4-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274285
4-[(tert-butylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274286
4-[(2-methylpropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274287
4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
CID 136674855

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one (CID 136738998) is 2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one is CC(Nc1cc(=O)[nH]c(C2CC2)n1)C1CCOCC1.
What is the InChIKey of 2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is QYVBYEFUHUCWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(10-4-6-19-7-5-10)15-12-8-13(18)17-14(16-12)11-2-3-11/h8-11H,2-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136738998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).