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

C21H28N6O2 — CID 53184329

IUPAC4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCCC1CN2C=NC(N3CCN(C(=O)NCc4cccc(OC)c4)CC3)=CC2=N1
InChIInChI=1S/C21H28N6O2/c1-3-17-14-27-15-23-19(12-20(27)24-17)25-7-9-26(10-8-25)21(28)22-13-16-5-4-6-18(11-16)29-2/h4-6,11-12,15,17H,3,7-10,13-14H2,1-2H3,(H,22,28)
InChIKeyXNLULJRULQRRAP-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.90
Rot. Bonds5

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

4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 53184329) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID53184329
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCCC1CN2C=NC(N3CCN(C(=O)NCc4cccc(OC)c4)CC3)=CC2=N1
InChIInChI=1S/C21H28N6O2/c1-3-17-14-27-15-23-19(12-20(27)24-17)25-7-9-26(10-8-25)21(28)22-13-16-5-4-6-18(11-16)29-2/h4-6,11-12,15,17H,3,7-10,13-14H2,1-2H3,(H,22,28)
InChIKeyXNLULJRULQRRAP-UHFFFAOYSA-N
XLogP1.90
TPSA72.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 53184329) is 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide is CCC1CN2C=NC(N3CCN(C(=O)NCc4cccc(OC)c4)CC3)=CC2=N1.
What is the InChIKey of 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is XNLULJRULQRRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-3-17-14-27-15-23-19(12-20(27)24-17)25-7-9-26(10-8-25)21(28)22-13-16-5-4-6-18(11-16)29-2/h4-6,11-12,15,17H,3,7-10,13-14H2,1-2H3,(H,22,28).
What are the key properties of 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide?
4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53184329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).