N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide

C12H21N5O — CID 118973362

IUPACN-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C2=CC(C)N=CN2)CC1
InChIInChI=1S/C12H21N5O/c1-3-13-12(18)17-6-4-16(5-7-17)11-8-10(2)14-9-15-11/h8-10H,3-7H2,1-2H3,(H,13,18)(H,14,15)
InChIKeyZZMUDDDDTXKGAY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.19
Rot. Bonds2

About N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide

N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide (PubChem CID 118973362) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide
PubChem CID118973362
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C2=CC(C)N=CN2)CC1
InChIInChI=1S/C12H21N5O/c1-3-13-12(18)17-6-4-16(5-7-17)11-8-10(2)14-9-15-11/h8-10H,3-7H2,1-2H3,(H,13,18)(H,14,15)
InChIKeyZZMUDDDDTXKGAY-UHFFFAOYSA-N
XLogP0.19
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide (CID 118973362) is N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide is CCNC(=O)N1CCN(C2=CC(C)N=CN2)CC1.
What is the InChIKey of N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide?
The InChIKey is ZZMUDDDDTXKGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-13-12(18)17-6-4-16(5-7-17)11-8-10(2)14-9-15-11/h8-10H,3-7H2,1-2H3,(H,13,18)(H,14,15).
What are the key properties of N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide?
N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 118973362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).