1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid

C14H23N5O2 — CID 56708805

IUPAC1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid
SMILESCCCNc1ncc(CN2CCN(C)C(C(=O)O)C2)cn1
InChIInChI=1S/C14H23N5O2/c1-3-4-15-14-16-7-11(8-17-14)9-19-6-5-18(2)12(10-19)13(20)21/h7-8,12H,3-6,9-10H2,1-2H3,(H,20,21)(H,15,16,17)
InChIKeyKOMOOYPSFZHNLC-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.50
Rot. Bonds6

About 1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid

1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid (PubChem CID 56708805) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid
PubChem CID56708805
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid
SMILESCCCNc1ncc(CN2CCN(C)C(C(=O)O)C2)cn1
InChIInChI=1S/C14H23N5O2/c1-3-4-15-14-16-7-11(8-17-14)9-19-6-5-18(2)12(10-19)13(20)21/h7-8,12H,3-6,9-10H2,1-2H3,(H,20,21)(H,15,16,17)
InChIKeyKOMOOYPSFZHNLC-UHFFFAOYSA-N
XLogP0.50
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one
CID 56702941
2-[4-(5-Methylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 75433516
3-Amino-1-{[2-(ethylamino)pyrimidin-5-YL]methyl}pyrrolidine-3-carboxylic acid
CID 56707605
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
4-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 56875085
[(5-{[Cyclopropyl(isobutyl)amino]methyl}pyrimidin-2-yl)(methyl)amino]acetic acid
CID 122566294
(6S)-4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6-methylpiperazin-2-one
CID 132422813
[4-Oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-2-yl]carbamic acid
CID 170167044
5-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine;2,2,2-trifluoroacetic acid
CID 170306063
5-Methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid
CID 170306066
5-(Piperazin-1-ylmethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 170306096

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid (CID 56708805) is 1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid is CCCNc1ncc(CN2CCN(C)C(C(=O)O)C2)cn1.
What is the InChIKey of 1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid?
The InChIKey is KOMOOYPSFZHNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-4-15-14-16-7-11(8-17-14)9-19-6-5-18(2)12(10-19)13(20)21/h7-8,12H,3-6,9-10H2,1-2H3,(H,20,21)(H,15,16,17).
What are the key properties of 1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid?
1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 56708805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).