N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide

C18H26N6O — CID 136586239

IUPACN-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide
SMILESCN(CCCn1ccnc1)C(=O)C1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C18H26N6O/c1-23(11-3-12-24-13-10-19-14-24)17(25)15-4-6-16(7-5-15)22-18-20-8-2-9-21-18/h2,8-10,13-16H,3-7,11-12H2,1H3,(H,20,21,22)
InChIKeyUYECNPCCMCWRHZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.19
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide

N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 136586239) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide
PubChem CID136586239
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide
SMILESCN(CCCn1ccnc1)C(=O)C1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C18H26N6O/c1-23(11-3-12-24-13-10-19-14-24)17(25)15-4-6-16(7-5-15)22-18-20-8-2-9-21-18/h2,8-10,13-16H,3-7,11-12H2,1H3,(H,20,21,22)
InChIKeyUYECNPCCMCWRHZ-UHFFFAOYSA-N
XLogP2.19
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide (CID 136586239) is N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide is CN(CCCn1ccnc1)C(=O)C1CCC(Nc2ncccn2)CC1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is UYECNPCCMCWRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-23(11-3-12-24-13-10-19-14-24)17(25)15-4-6-16(7-5-15)22-18-20-8-2-9-21-18/h2,8-10,13-16H,3-7,11-12H2,1H3,(H,20,21,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide?
N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N-methyl-4-(pyrimidin-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 136586239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).