methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate

C14H21N5O3 — CID 162458558

IUPACmethyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(NC2COC2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H21N5O3/c1-18-3-5-19(6-4-18)14-16-11(13(20)21-2)7-12(17-14)15-10-8-22-9-10/h7,10H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyPZNKNNPRQFYZPX-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.17
Rot. Bonds4

About methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate

methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate (PubChem CID 162458558) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate
PubChem CID162458558
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Namemethyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(NC2COC2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H21N5O3/c1-18-3-5-19(6-4-18)14-16-11(13(20)21-2)7-12(17-14)15-10-8-22-9-10/h7,10H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyPZNKNNPRQFYZPX-UHFFFAOYSA-N
XLogP-0.17
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-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

2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylic acid
CID 162458584
methyl 2-[4-(2-methylpropanoyl)piperazin-1-yl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate
CID 162458199
methyl 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carboxylate
CID 82635947
1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 118549624
1-[4-[4-tert-butyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 118546942
methyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 166070921
2-(azetidin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90245533
1-[3-[[2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrimidin-4-yl]amino]azetidin-1-yl]ethanone
CID 90248752
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 118549633
1-[3-[[2-(4-methylpiperazin-1-yl)-6-(2-sulfanylpropan-2-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone
CID 144986545
1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 144655538
methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate (CID 162458558) is methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate is COC(=O)c1cc(NC2COC2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate?
The InChIKey is PZNKNNPRQFYZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-18-3-5-19(6-4-18)14-16-11(13(20)21-2)7-12(17-14)15-10-8-22-9-10/h7,10H,3-6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate?
methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate has a molecular weight of 307.35 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate is sourced from PubChem (CID 162458558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).