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

C14H21N3O2 — CID 136754605

IUPAC2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCC2CCCCO2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H21N3O2/c18-13-9-12(16-14(17-13)10-4-5-10)15-7-6-11-3-1-2-8-19-11/h9-11H,1-8H2,(H2,15,16,17,18)
InChIKeyMBVIUQMLYOPTGG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.02
Rot. Bonds5

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

2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136754605) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136754605
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCC2CCCCO2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H21N3O2/c18-13-9-12(16-14(17-13)10-4-5-10)15-7-6-11-3-1-2-8-19-11/h9-11H,1-8H2,(H2,15,16,17,18)
InChIKeyMBVIUQMLYOPTGG-UHFFFAOYSA-N
XLogP2.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249108
2-cyclopropyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586375
4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586514
4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136569055
4-[(2-cyclopropyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136696601
4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730161
2-methyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754603
4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754606
4-[2-(oxan-2-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136754607
4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136852169
4-[(2-methylpropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136852172
2-methyl-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857174

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136754605) is 2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one is O=c1cc(NCCC2CCCCO2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is MBVIUQMLYOPTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-9-12(16-14(17-13)10-4-5-10)15-7-6-11-3-1-2-8-19-11/h9-11H,1-8H2,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136754605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).