N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide

C20H26N6O2 — CID 53184270

IUPACN-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)cc1
InChIInChI=1S/C20H26N6O2/c1-15-13-26-14-22-18(11-19(26)23-15)24-7-9-25(10-8-24)20(27)21-12-16-3-5-17(28-2)6-4-16/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,21,27)
InChIKeyDABJCNIVSASFJC-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.51
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide

N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide (PubChem CID 53184270) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
PubChem CID53184270
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)cc1
InChIInChI=1S/C20H26N6O2/c1-15-13-26-14-22-18(11-19(26)23-15)24-7-9-25(10-8-24)20(27)21-12-16-3-5-17(28-2)6-4-16/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,21,27)
InChIKeyDABJCNIVSASFJC-UHFFFAOYSA-N
XLogP1.51
TPSA72.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide (CID 53184270) is N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide?
The InChIKey is DABJCNIVSASFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-15-13-26-14-22-18(11-19(26)23-15)24-7-9-25(10-8-24)20(27)21-12-16-3-5-17(28-2)6-4-16/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,21,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53184270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).