2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one

C13H20N4O — CID 136737815

IUPAC2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCC2=CCNCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N4O/c1-2-11-16-12(9-13(18)17-11)15-8-5-10-3-6-14-7-4-10/h3,9,14H,2,4-8H2,1H3,(H2,15,16,17,18)
InChIKeyPRKDRSRLZZNHIQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.05
Rot. Bonds5

About 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one

2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136737815) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136737815
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCC2=CCNCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N4O/c1-2-11-16-12(9-13(18)17-11)15-8-5-10-3-6-14-7-4-10/h3,9,14H,2,4-8H2,1H3,(H2,15,16,17,18)
InChIKeyPRKDRSRLZZNHIQ-UHFFFAOYSA-N
XLogP1.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)-2-butyl-1H-pyrimidin-6-one
CID 136303834
4-(3-methylbut-2-enylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136679984
2-ethyl-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
CID 136679990
4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136689848
4-(5-aminopentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136689850
4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136689851
2-cyclopropyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136737816
4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136737823
2-propan-2-yl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136737824
4-(6-aminohexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136755774
4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136829855
4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136849713

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one (CID 136737815) is 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one is CCc1nc(NCCC2=CCNCC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is PRKDRSRLZZNHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-11-16-12(9-13(18)17-11)15-8-5-10-3-6-14-7-4-10/h3,9,14H,2,4-8H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136737815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).