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

C10H15N3O2 — CID 136764980

IUPAC4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCOCC2CC2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-10-5-9(12-7-13-10)11-3-4-15-6-8-1-2-8/h5,7-8H,1-4,6H2,(H2,11,12,13,14)
InChIKeyZWNMEAVWNBLPCJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.61
Rot. Bonds6

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

4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136764980) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
PubChem CID136764980
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCOCC2CC2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-10-5-9(12-7-13-10)11-3-4-15-6-8-1-2-8/h5,7-8H,1-4,6H2,(H2,11,12,13,14)
InChIKeyZWNMEAVWNBLPCJ-UHFFFAOYSA-N
XLogP0.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.61
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

6-Morpholinopyrimidin-4-ol
CID 136128233
4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896834
4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956681
4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137138532
4-(2-but-3-enoxyethylamino)-1H-pyrimidin-6-one
CID 136690727
4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730539
4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764961
5-bromo-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764981
4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136764982
4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136764983
5-amino-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764984
5-chloro-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764986

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one (CID 136764980) is 4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one is O=c1cc(NCCOCC2CC2)nc[nH]1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is ZWNMEAVWNBLPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10-5-9(12-7-13-10)11-3-4-15-6-8-1-2-8/h5,7-8H,1-4,6H2,(H2,11,12,13,14).
What are the key properties of 4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one?
4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).