(2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide

C13H23N5O — CID 90453969

IUPAC(2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide
SMILESCC1C=C(N2CCN(C(=O)N(C)C)[C@@H](C)C2)NC=N1
InChIInChI=1S/C13H23N5O/c1-10-7-12(15-9-14-10)17-5-6-18(11(2)8-17)13(19)16(3)4/h7,9-11H,5-6,8H2,1-4H3,(H,14,15)/t10?,11-/m0/s1
InChIKeyAKYOOMGPGPRSKO-DTIOYNMSSA-N
MW265.36 g/mol
LogP0.54
Rot. Bonds1

About (2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide

(2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide (PubChem CID 90453969) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide
PubChem CID90453969
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide
SMILESCC1C=C(N2CCN(C(=O)N(C)C)[C@@H](C)C2)NC=N1
InChIInChI=1S/C13H23N5O/c1-10-7-12(15-9-14-10)17-5-6-18(11(2)8-17)13(19)16(3)4/h7,9-11H,5-6,8H2,1-4H3,(H,14,15)/t10?,11-/m0/s1
InChIKeyAKYOOMGPGPRSKO-DTIOYNMSSA-N
XLogP0.54
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide?
The IUPAC name of (2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide (CID 90453969) is (2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for (2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide?
The canonical SMILES for (2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide is CC1C=C(N2CCN(C(=O)N(C)C)[C@@H](C)C2)NC=N1.
What is the InChIKey of (2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide?
The InChIKey is AKYOOMGPGPRSKO-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-7-12(15-9-14-10)17-5-6-18(11(2)8-17)13(19)16(3)4/h7,9-11H,5-6,8H2,1-4H3,(H,14,15)/t10?,11-/m0/s1.
What are the key properties of (2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide?
(2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 90453969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).