4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 136764983

IUPAC4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCOCC2CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-9-10(13-7-14-11(9)15)12-4-5-17-6-8-2-3-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyHCOFDTXTNVSASI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.62
Rot. Bonds7

About 4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one

4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136764983) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136764983
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCOCC2CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-9-10(13-7-14-11(9)15)12-4-5-17-6-8-2-3-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyHCOFDTXTNVSASI-UHFFFAOYSA-N
XLogP0.62
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.62
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-(2,2-difluoroethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136896829
5-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975766
5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240608
4-(cyclopropylmethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103240772
4-(ethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136294602
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
5-methoxy-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764965
5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764974
4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764980
4-[2-(cyclopropylmethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136764987
4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136764993
5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820288

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136764983) is 4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCCOCC2CC2)nc[nH]c1=O.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is HCOFDTXTNVSASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-16-9-10(13-7-14-11(9)15)12-4-5-17-6-8-2-3-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136764983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).