2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one

C12H17N3O2 — CID 135399221

IUPAC2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CN2CCOCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H17N3O2/c16-11-7-10(8-15-3-5-17-6-4-15)13-12(14-11)9-1-2-9/h7,9H,1-6,8H2,(H,13,14,16)
InChIKeyBFUCDSORAZCALW-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.48
Rot. Bonds3

About 2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135399221) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135399221
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CN2CCOCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H17N3O2/c16-11-7-10(8-15-3-5-17-6-4-15)13-12(14-11)9-1-2-9/h7,9H,1-6,8H2,(H,13,14,16)
InChIKeyBFUCDSORAZCALW-UHFFFAOYSA-N
XLogP0.48
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one (CID 135399221) is 2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(CN2CCOCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is BFUCDSORAZCALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11-7-10(8-15-3-5-17-6-4-15)13-12(14-11)9-1-2-9/h7,9H,1-6,8H2,(H,13,14,16).
What are the key properties of 2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135399221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).