N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide

C24H36N6O2 — CID 59262439

IUPACN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3cncnc3)C2)N=C1N
InChIInChI=1S/C24H36N6O2/c1-30-22(32)24(29-23(30)25,11-10-17-6-3-2-4-7-17)13-18-8-5-9-20(12-18)28-21(31)19-14-26-16-27-15-19/h14-18,20H,2-13H2,1H3,(H2,25,29)(H,28,31)/t18-,20+,24+/m0/s1
InChIKeyIVWHYLRIFIKDDM-MFSJNOQSSA-N
MW440.59 g/mol
LogP3.04
Rot. Bonds7

About N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide (PubChem CID 59262439) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide
PubChem CID59262439
Molecular FormulaC24H36N6O2
Molecular Weight440.59 g/mol
Exact Mass440.29
IUPAC NameN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3cncnc3)C2)N=C1N
InChIInChI=1S/C24H36N6O2/c1-30-22(32)24(29-23(30)25,11-10-17-6-3-2-4-7-17)13-18-8-5-9-20(12-18)28-21(31)19-14-26-16-27-15-19/h14-18,20H,2-13H2,1H3,(H2,25,29)(H,28,31)/t18-,20+,24+/m0/s1
InChIKeyIVWHYLRIFIKDDM-MFSJNOQSSA-N
XLogP3.04
TPSA113.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide (CID 59262439) is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3cncnc3)C2)N=C1N.
What is the InChIKey of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide?
The InChIKey is IVWHYLRIFIKDDM-MFSJNOQSSA-N. The full InChI is InChI=1S/C24H36N6O2/c1-30-22(32)24(29-23(30)25,11-10-17-6-3-2-4-7-17)13-18-8-5-9-20(12-18)28-21(31)19-14-26-16-27-15-19/h14-18,20H,2-13H2,1H3,(H2,25,29)(H,28,31)/t18-,20+,24+/m0/s1.
What are the key properties of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide?
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59262439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).