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

C10H16ClN3O3 — CID 136764978

IUPAC5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O3/c1-16-5-6-17-4-2-3-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyMSNLKDHEXCAVBL-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.89
Rot. Bonds8

About 5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one

5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136764978) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136764978
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O3/c1-16-5-6-17-4-2-3-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyMSNLKDHEXCAVBL-UHFFFAOYSA-N
XLogP0.89
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.89
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one (CID 136764978) is 5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is COCCOCCCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is MSNLKDHEXCAVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-16-5-6-17-4-2-3-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one?
5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 261.71 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).