4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one

C10H15N5O — CID 80764577

IUPAC4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
SMILESCCNc1nccc(N2CCNC(=O)C2)n1
InChIInChI=1S/C10H15N5O/c1-2-11-10-13-4-3-8(14-10)15-6-5-12-9(16)7-15/h3-4H,2,5-7H2,1H3,(H,12,16)(H,11,13,14)
InChIKeyYRXOCZTUHXQSKE-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.16
Rot. Bonds3

About 4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one

4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one (PubChem CID 80764577) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
PubChem CID80764577
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
SMILESCCNc1nccc(N2CCNC(=O)C2)n1
InChIInChI=1S/C10H15N5O/c1-2-11-10-13-4-3-8(14-10)15-6-5-12-9(16)7-15/h3-4H,2,5-7H2,1H3,(H,12,16)(H,11,13,14)
InChIKeyYRXOCZTUHXQSKE-UHFFFAOYSA-N
XLogP-0.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(ethylamino)-2-pyridinyl]piperazin-2-one
CID 80763941
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80763945
4-[6-(ethylamino)pyrazin-2-yl]piperazin-2-one
CID 78990212
4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80851303
4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine
CID 80854955
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 166601436
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one
CID 80749613
N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
CID 80851519
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one
CID 80763940
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylpyrimidin-2-amine
CID 80830977

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one (CID 80764577) is 4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one is CCNc1nccc(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is YRXOCZTUHXQSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-11-10-13-4-3-8(14-10)15-6-5-12-9(16)7-15/h3-4H,2,5-7H2,1H3,(H,12,16)(H,11,13,14).
What are the key properties of 4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one?
4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 221.26 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 80764577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).