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

C12H20N4O2 — CID 136730546

IUPAC4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCOCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H20N4O2/c13-4-7-18-6-1-5-14-10-8-11(17)16-12(15-10)9-2-3-9/h8-9H,1-7,13H2,(H2,14,15,16,17)
InChIKeyJZYDMHPFRYPBCE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.42
Rot. Bonds8

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

4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136730546) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136730546
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCOCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H20N4O2/c13-4-7-18-6-1-5-14-10-8-11(17)16-12(15-10)9-2-3-9/h8-9H,1-7,13H2,(H2,14,15,16,17)
InChIKeyJZYDMHPFRYPBCE-UHFFFAOYSA-N
XLogP0.42
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.42
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-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975763
2-propan-2-yl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975765
4-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136999737
2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136999738
2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586299
2-cyclopropyl-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586328
2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586338
4-(2-aminoethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586356
2-(3-aminopropyl)-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 136345101
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
4-(2-but-3-enoxyethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136690724
2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696628

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136730546) is 4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one is NCCOCCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is JZYDMHPFRYPBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-4-7-18-6-1-5-14-10-8-11(17)16-12(15-10)9-2-3-9/h8-9H,1-7,13H2,(H2,14,15,16,17).
What are the key properties of 4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).