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

C11H17N3O2 — CID 136739000

IUPAC4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1cc(=O)[nH]cn1)C1CCOCC1
InChIInChI=1S/C11H17N3O2/c1-8(9-2-4-16-5-3-9)14-10-6-11(15)13-7-12-10/h6-9H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyNDIHDTLVYIGYKP-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.00
Rot. Bonds3

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

4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136739000) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136739000
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1cc(=O)[nH]cn1)C1CCOCC1
InChIInChI=1S/C11H17N3O2/c1-8(9-2-4-16-5-3-9)14-10-6-11(15)13-7-12-10/h6-9H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyNDIHDTLVYIGYKP-UHFFFAOYSA-N
XLogP1.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723605
5-chloro-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738997
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738998
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756219
4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786683
4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819503
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824090
2-ethyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824102
2-methyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824103
5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824104
4-[1-(oxan-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136824105
4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857180

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one (CID 136739000) is 4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one is CC(Nc1cc(=O)[nH]cn1)C1CCOCC1.
What is the InChIKey of 4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is NDIHDTLVYIGYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(9-2-4-16-5-3-9)14-10-6-11(15)13-7-12-10/h6-9H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136739000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).