N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide

C16H25N5O2 — CID 135515955

IUPACN-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCc1c(C)nc(N2CCN(CC(=O)NC3CC3)CC2)[nH]c1=O
InChIInChI=1S/C16H25N5O2/c1-3-13-11(2)17-16(19-15(13)23)21-8-6-20(7-9-21)10-14(22)18-12-4-5-12/h12H,3-10H2,1-2H3,(H,18,22)(H,17,19,23)
InChIKeyBGVGGESALCVFGT-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.04
Rot. Bonds5

About N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 135515955) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID135515955
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCc1c(C)nc(N2CCN(CC(=O)NC3CC3)CC2)[nH]c1=O
InChIInChI=1S/C16H25N5O2/c1-3-13-11(2)17-16(19-15(13)23)21-8-6-20(7-9-21)10-14(22)18-12-4-5-12/h12H,3-10H2,1-2H3,(H,18,22)(H,17,19,23)
InChIKeyBGVGGESALCVFGT-UHFFFAOYSA-N
XLogP0.04
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

"N-methyl-2-(4-methylpiperazino)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide"
CID 136665474
2-(4-Cyclopropanecarbonylpiperazin-1-yl)-5-fluoro-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 154830590
2-[4-(2-Cyclopropylacetyl)piperazin-1-yl]-5-fluoro-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 154830597
2-{4-[2-(4,5-Dimethyl-6-oxo-1,6-dihydropyrimidin-1-yl)acetyl]piperazin-1-yl}-5-fluoro-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 154830644
6-Cyclopropyl-2-{4-[2-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-1-yl)acetyl]piperazin-1-yl}-5-fluoro-3,4-dihydropyrimidin-4-one
CID 154830671
5-ethyl-4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135515953
N-cyclopropyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
CID 135515965
5-ethyl-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135644656
2-[2-(dimethylamino)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl]-N,N-diethyl-2-oxoacetamide
CID 136014715
N-cyclopropyl-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 136083576
5-Ethyl-6-methyl-2-piperazin-1-yl-pyrimidin-4-ol
CID 136103247
5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136761455

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide (CID 135515955) is N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide is CCc1c(C)nc(N2CCN(CC(=O)NC3CC3)CC2)[nH]c1=O.
What is the InChIKey of N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is BGVGGESALCVFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-3-13-11(2)17-16(19-15(13)23)21-8-6-20(7-9-21)10-14(22)18-12-4-5-12/h12H,3-10H2,1-2H3,(H,18,22)(H,17,19,23).
What are the key properties of N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 135515955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).