5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C14H23N3O2 — CID 136835483

IUPAC5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCCOCC2CC2)c(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9(15-6-7-19-8-12-4-5-12)13-10(2)16-11(3)17-14(13)18/h9,12,15H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyPWBFBQVHADBRDR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.46
Rot. Bonds7

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

5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136835483) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136835483
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NCCOCC2CC2)c(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9(15-6-7-19-8-12-4-5-12)13-10(2)16-11(3)17-14(13)18/h9,12,15H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyPWBFBQVHADBRDR-UHFFFAOYSA-N
XLogP1.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.46
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

2,4-dimethyl-5-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 136148420
5-[1-[2-(2,2-difluoroethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136852734
2-(ethoxymethyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136233877
3-(2-Methoxyethyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619787
2-Cyclopropyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619793
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
CID 135896895
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 135896977
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 135896978
5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135970649
5-ethyl-4-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973726
5-[1-(4-methoxybutylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135973735
5-[1-[(3-methoxy-2-methylpropyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135990215

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136835483) is 5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(C(C)NCCOCC2CC2)c(=O)[nH]1.
What is the InChIKey of 5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is PWBFBQVHADBRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(15-6-7-19-8-12-4-5-12)13-10(2)16-11(3)17-14(13)18/h9,12,15H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136835483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).