2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one

C12H19N3O3 — CID 136730530

IUPAC2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCOCCO)nc(C2CC2)[nH]1
InChIInChI=1S/C12H19N3O3/c16-5-7-18-6-1-4-13-10-8-11(17)15-12(14-10)9-2-3-9/h8-9,16H,1-7H2,(H2,13,14,15,17)
InChIKeyLKBFZYXKVNNKCS-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.46
Rot. Bonds8

About 2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136730530) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136730530
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCOCCO)nc(C2CC2)[nH]1
InChIInChI=1S/C12H19N3O3/c16-5-7-18-6-1-4-13-10-8-11(17)15-12(14-10)9-2-3-9/h8-9,16H,1-7H2,(H2,13,14,15,17)
InChIKeyLKBFZYXKVNNKCS-UHFFFAOYSA-N
XLogP0.46
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849690
2-cyclopropyl-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675568
2-ethyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730522
4-[3-(2-hydroxyethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730523
4-[3-(2-hydroxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136730526
4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136730546
2-ethyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764963
2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764964
4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764967
2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764968
2-ethyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764972
4-[3-(2-methoxyethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136764973

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one (CID 136730530) is 2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one is O=c1cc(NCCCOCCO)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is LKBFZYXKVNNKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c16-5-7-18-6-1-4-13-10-8-11(17)15-12(14-10)9-2-3-9/h8-9,16H,1-7H2,(H2,13,14,15,17).
What are the key properties of 2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136730530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).