N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide

C22H33N5OS — CID 141223800

IUPACN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide
SMILESCc1nc(NC2CCC(NC(=O)CCCCc3cccs3)CC2)cc(N(C)C)n1
InChIInChI=1S/C22H33N5OS/c1-16-23-20(15-21(24-16)27(2)3)25-17-10-12-18(13-11-17)26-22(28)9-5-4-7-19-8-6-14-29-19/h6,8,14-15,17-18H,4-5,7,9-13H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyLWJWPMCZHSSCFV-UHFFFAOYSA-N
MW415.61 g/mol
LogP4.16
Rot. Bonds9

About N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide (PubChem CID 141223800) has the molecular formula C22H33N5OS and a molecular weight of 415.61 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide
PubChem CID141223800
Molecular FormulaC22H33N5OS
Molecular Weight415.61 g/mol
Exact Mass415.24
IUPAC NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide
SMILESCc1nc(NC2CCC(NC(=O)CCCCc3cccs3)CC2)cc(N(C)C)n1
InChIInChI=1S/C22H33N5OS/c1-16-23-20(15-21(24-16)27(2)3)25-17-10-12-18(13-11-17)26-22(28)9-5-4-7-19-8-6-14-29-19/h6,8,14-15,17-18H,4-5,7,9-13H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyLWJWPMCZHSSCFV-UHFFFAOYSA-N
XLogP4.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]thiophene-2-carboxamide
CID 141223776
[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
CID 68977621
2-(1-benzothiophen-3-yl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]acetamide
CID 141223779
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide
CID 175644633
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 141223813
3-(4-thiophen-2-ylbutanoylamino)cyclohexane-1-carboxylic acid
CID 63042020
4-N,4-N,2-trimethyl-6-N-[4-(2-phenylethylamino)cyclohexyl]pyrimidine-4,6-diamine
CID 91320744

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide (CID 141223800) is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide is Cc1nc(NC2CCC(NC(=O)CCCCc3cccs3)CC2)cc(N(C)C)n1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide?
The InChIKey is LWJWPMCZHSSCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5OS/c1-16-23-20(15-21(24-16)27(2)3)25-17-10-12-18(13-11-17)26-22(28)9-5-4-7-19-8-6-14-29-19/h6,8,14-15,17-18H,4-5,7,9-13H2,1-3H3,(H,26,28)(H,23,24,25).
What are the key properties of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide?
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide has a molecular weight of 415.61 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 141223800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).