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

C12H20N4O — CID 137015708

IUPAC4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(CCNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H20N4O/c1-16-6-3-10(4-7-16)2-5-13-11-8-12(17)15-9-14-11/h8-10H,2-7H2,1H3,(H2,13,14,15,17)
InChIKeyCTRMTUFROYNVGY-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.91
Rot. Bonds4

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

4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 137015708) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID137015708
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(CCNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H20N4O/c1-16-6-3-10(4-7-16)2-5-13-11-8-12(17)15-9-14-11/h8-10H,2-7H2,1H3,(H2,13,14,15,17)
InChIKeyCTRMTUFROYNVGY-UHFFFAOYSA-N
XLogP0.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136958128
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136956156
2,4-dimethyl-6-[2-(1-methylpiperidin-4-yl)ethylamino]-1,2,4-triazine-3,5-dione
CID 115599561
4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 136956037
5-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-2-amine
CID 114515987
4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136977220
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 114516943
2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114516993
4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957057
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114517041
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114517029

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one (CID 137015708) is 4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one is CN1CCC(CCNc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is CTRMTUFROYNVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-6-3-10(4-7-16)2-5-13-11-8-12(17)15-9-14-11/h8-10H,2-7H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one?
4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137015708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).