4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one

C13H21N3O2 — CID 136764991

IUPAC4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCOCC2CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-2-11-15-12(8-13(17)16-11)14-6-3-7-18-9-10-4-5-10/h8,10H,2-7,9H2,1H3,(H2,14,15,16,17)
InChIKeyDSDFOZDNRUZSLA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.56
Rot. Bonds8

About 4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one

4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136764991) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136764991
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCOCC2CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-2-11-15-12(8-13(17)16-11)14-6-3-7-18-9-10-4-5-10/h8,10H,2-7,9H2,1H3,(H2,14,15,16,17)
InChIKeyDSDFOZDNRUZSLA-UHFFFAOYSA-N
XLogP1.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 103241437
4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586367
2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586392
4-(ethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136294348
2-propan-2-yl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294351
2-cyclopropyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136294352
2-cyclopropyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294353
4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136569055
2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696628

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136764991) is 4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NCCCOCC2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is DSDFOZDNRUZSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-11-15-12(8-13(17)16-11)14-6-3-7-18-9-10-4-5-10/h8,10H,2-7,9H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethoxy)propylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).