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

C18H20F2N6O — CID 95106457

IUPACN-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide
SMILESC[C@@H]1CN2C=NC(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)=CC2=N1
InChIInChI=1S/C18H20F2N6O/c1-12-10-26-11-21-16(9-17(26)22-12)24-4-6-25(7-5-24)18(27)23-15-3-2-13(19)8-14(15)20/h2-3,8-9,11-12H,4-7,10H2,1H3,(H,23,27)/t12-/m1/s1
InChIKeyMEHKWZYREZYRQS-GFCCVEGCSA-N
MW374.40 g/mol
LogP2.10
Rot. Bonds2

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

N-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide (PubChem CID 95106457) has the molecular formula C18H20F2N6O and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide
PubChem CID95106457
Molecular FormulaC18H20F2N6O
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC NameN-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide
SMILESC[C@@H]1CN2C=NC(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)=CC2=N1
InChIInChI=1S/C18H20F2N6O/c1-12-10-26-11-21-16(9-17(26)22-12)24-4-6-25(7-5-24)18(27)23-15-3-2-13(19)8-14(15)20/h2-3,8-9,11-12H,4-7,10H2,1H3,(H,23,27)/t12-/m1/s1
InChIKeyMEHKWZYREZYRQS-GFCCVEGCSA-N
XLogP2.10
TPSA63.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide (CID 95106457) is N-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide is C[C@@H]1CN2C=NC(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)=CC2=N1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide?
The InChIKey is MEHKWZYREZYRQS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20F2N6O/c1-12-10-26-11-21-16(9-17(26)22-12)24-4-6-25(7-5-24)18(27)23-15-3-2-13(19)8-14(15)20/h2-3,8-9,11-12H,4-7,10H2,1H3,(H,23,27)/t12-/m1/s1.
What are the key properties of N-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[(2R)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide is sourced from PubChem (CID 95106457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).