2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate

C14H22N4O2 — CID 142467552

IUPAC2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate
SMILESCc1cnc(N2CCNC(C(=O)OCC(C)C)C2)nc1
InChIInChI=1S/C14H22N4O2/c1-10(2)9-20-13(19)12-8-18(5-4-15-12)14-16-6-11(3)7-17-14/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyLNLNNVXYLYZZON-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.76
Rot. Bonds4

About 2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate

2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate (PubChem CID 142467552) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate
PubChem CID142467552
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate
SMILESCc1cnc(N2CCNC(C(=O)OCC(C)C)C2)nc1
InChIInChI=1S/C14H22N4O2/c1-10(2)9-20-13(19)12-8-18(5-4-15-12)14-16-6-11(3)7-17-14/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyLNLNNVXYLYZZON-UHFFFAOYSA-N
XLogP0.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-[(4-pyrimidin-2-ylpiperazinyl)carbonylamino]acetate
CID 17174442
1,3-Dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one
CID 56702941
5-ethyl-N-(2-morpholin-4-ylbutyl)pyrimidin-2-amine
CID 72919733
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
2-[4-(5-Methylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 75433516
ethyl [methyl(5-{[(3R)-tetrahydrofuran-3-ylamino]methyl}pyrimidin-2-yl)amino]acetate
CID 50968693
Methyl (4-{[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino}piperidin-1-yl)acetate
CID 50971847
1-(4-Methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone
CID 56799664
(3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 95598765
(2S)-4-[[2-(propylamino)pyrimidin-5-yl]methyl]morpholine-2-carboxamide
CID 99929770
[(3S)-4-methyl-3-[[(5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-yl]methanol
CID 164640777
3-[(2S)-2-aminopropoxy]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 146219204

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate?
The IUPAC name of 2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate (CID 142467552) is 2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate is Cc1cnc(N2CCNC(C(=O)OCC(C)C)C2)nc1.
What is the InChIKey of 2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate?
The InChIKey is LNLNNVXYLYZZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)9-20-13(19)12-8-18(5-4-15-12)14-16-6-11(3)7-17-14/h6-7,10,12,15H,4-5,8-9H2,1-3H3.
What are the key properties of 2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate?
2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(5-methylpyrimidin-2-yl)piperazine-2-carboxylate is sourced from PubChem (CID 142467552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).