N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide

C15H25N5O2 — CID 136665370

IUPACN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)C(C)N2CCN(C)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-11-10-14(21)18-13(17-11)4-5-16-15(22)12(2)20-8-6-19(3)7-9-20/h10,12H,4-9H2,1-3H3,(H,16,22)(H,17,18,21)
InChIKeyHTRGFVBGFJIZHH-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.63
Rot. Bonds5

About N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 136665370) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID136665370
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)C(C)N2CCN(C)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-11-10-14(21)18-13(17-11)4-5-16-15(22)12(2)20-8-6-19(3)7-9-20/h10,12H,4-9H2,1-3H3,(H,16,22)(H,17,18,21)
InChIKeyHTRGFVBGFJIZHH-UHFFFAOYSA-N
XLogP-0.63
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ethyl)acetamide
CID 136245430
2,6-Dimethyl-5-(1-piperazinyl)-4-pyrimidinol
CID 135481922
(3S)-3-ethyl-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1,4-diazepan-2-one
CID 136585933
N~2~,N~2~-diethyl-N~1~-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]glycinamide
CID 136663687
N~1~-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-norvalinamide
CID 136664961
2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide
CID 137301596
4-(difluoromethyl)-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 136171489
4-(difluoromethyl)-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 136171494
(Z)-3-[[N-[2-(1-isocyanatopropan-2-ylamino)-2-oxoethyl]-C-methylcarbonimidoyl]amino]but-2-enamide
CID 123548458
6-propan-2-yl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 129079763
4-Oxo-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 141152253
Ethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8557107

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide (CID 136665370) is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide is Cc1cc(=O)[nH]c(CCNC(=O)C(C)N2CCN(C)CC2)n1.
What is the InChIKey of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is HTRGFVBGFJIZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11-10-14(21)18-13(17-11)4-5-16-15(22)12(2)20-8-6-19(3)7-9-20/h10,12H,4-9H2,1-3H3,(H,16,22)(H,17,18,21).
What are the key properties of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide?
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 307.40 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 136665370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).