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

C13H21N3O3 — CID 136764977

IUPAC2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O3/c1-18-7-8-19-6-2-5-14-11-9-12(17)16-13(15-11)10-3-4-10/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyPEORJZCOAOGWQE-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.11
Rot. Bonds9

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

2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136764977) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136764977
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O3/c1-18-7-8-19-6-2-5-14-11-9-12(17)16-13(15-11)10-3-4-10/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyPEORJZCOAOGWQE-UHFFFAOYSA-N
XLogP1.11
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-butoxyethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 103240432
2-cyclopropyl-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240582
2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 103241437
2-cyclopropyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
CID 103241659
2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
CID 103241964
2-cyclopropyl-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106451667
2-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one
CID 113792815
2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586392
2-cyclopropyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136294352
2-cyclopropyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294353
2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696628
2-cyclopropyl-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706909

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (CID 136764977) is 2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is COCCOCCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is PEORJZCOAOGWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-18-7-8-19-6-2-5-14-11-9-12(17)16-13(15-11)10-3-4-10/h9-10H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).