N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide

C22H31N5O2 — CID 11574826

IUPACN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NC2CCC(Nc3cc(N(C)C)nc(C)n3)CC2)c1
InChIInChI=1S/C22H31N5O2/c1-5-29-19-8-6-7-16(13-19)22(28)26-18-11-9-17(10-12-18)25-20-14-21(27(3)4)24-15(2)23-20/h6-8,13-14,17-18H,5,9-12H2,1-4H3,(H,26,28)(H,23,24,25)
InChIKeyZPZLFXPFEUSLRI-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.40
Rot. Bonds7

About N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide (PubChem CID 11574826) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide
PubChem CID11574826
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NC2CCC(Nc3cc(N(C)C)nc(C)n3)CC2)c1
InChIInChI=1S/C22H31N5O2/c1-5-29-19-8-6-7-16(13-19)22(28)26-18-11-9-17(10-12-18)25-20-14-21(27(3)4)24-15(2)23-20/h6-8,13-14,17-18H,5,9-12H2,1-4H3,(H,26,28)(H,23,24,25)
InChIKeyZPZLFXPFEUSLRI-UHFFFAOYSA-N
XLogP3.40
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-9,10-dioxoanthracene-2-carboxamide
CID 141223961
[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
CID 68977621
1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-(2-ethoxyphenyl)urea
CID 11654518
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-ethoxybenzamide
CID 136512750
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 141223813
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide
CID 141223965
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methylbenzamide
CID 45485077
N-cyclohexyl-3-propoxybenzamide
CID 4960053
6-N-[4-[2-(4-chlorophenoxy)ethylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 141224005
N-cyclopropyl-3-methoxybenzamide
CID 900156
2-(1-benzothiophen-3-yl)-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]acetamide
CID 141223779
N-(4-bromocyclohexyl)-3-propoxybenzamide
CID 114308980

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide (CID 11574826) is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)NC2CCC(Nc3cc(N(C)C)nc(C)n3)CC2)c1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide?
The InChIKey is ZPZLFXPFEUSLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-5-29-19-8-6-7-16(13-19)22(28)26-18-11-9-17(10-12-18)25-20-14-21(27(3)4)24-15(2)23-20/h6-8,13-14,17-18H,5,9-12H2,1-4H3,(H,26,28)(H,23,24,25).
What are the key properties of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide?
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-ethoxybenzamide has a molecular weight of 397.52 g/mol, XLogP of 3.40, 7 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]-3-ethoxybenzamide is sourced from PubChem (CID 11574826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).