2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one

C12H18N4O2 — CID 136706916

IUPAC2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2COCCN2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H18N4O2/c17-11-5-10(15-12(16-11)8-1-2-8)14-6-9-7-18-4-3-13-9/h5,8-9,13H,1-4,6-7H2,(H2,14,15,16,17)
InChIKeyAAUIKLYNTXULTD-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.05
Rot. Bonds4

About 2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136706916) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136706916
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2COCCN2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H18N4O2/c17-11-5-10(15-12(16-11)8-1-2-8)14-6-9-7-18-4-3-13-9/h5,8-9,13H,1-4,6-7H2,(H2,14,15,16,17)
InChIKeyAAUIKLYNTXULTD-UHFFFAOYSA-N
XLogP0.05
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136706916) is 2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one is O=c1cc(NCC2COCCN2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is AAUIKLYNTXULTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-11-5-10(15-12(16-11)8-1-2-8)14-6-9-7-18-4-3-13-9/h5,8-9,13H,1-4,6-7H2,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 250.30 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136706916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).