N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide

C21H29N5O — CID 23027035

IUPACN-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCC(Nc3ncc(C)c(N(C)C)n3)CC2)cc1
InChIInChI=1S/C21H29N5O/c1-14-5-7-16(8-6-14)20(27)23-17-9-11-18(12-10-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-8,13,17-18H,9-12H2,1-4H3,(H,23,27)(H,22,24,25)
InChIKeyNDWXGJDJKXDMOV-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.31
Rot. Bonds5

About N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide

N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide (PubChem CID 23027035) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide
PubChem CID23027035
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCC(Nc3ncc(C)c(N(C)C)n3)CC2)cc1
InChIInChI=1S/C21H29N5O/c1-14-5-7-16(8-6-14)20(27)23-17-9-11-18(12-10-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-8,13,17-18H,9-12H2,1-4H3,(H,23,27)(H,22,24,25)
InChIKeyNDWXGJDJKXDMOV-UHFFFAOYSA-N
XLogP3.31
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide (CID 23027035) is N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCC(Nc3ncc(C)c(N(C)C)n3)CC2)cc1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide?
The InChIKey is NDWXGJDJKXDMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-14-5-7-16(8-6-14)20(27)23-17-9-11-18(12-10-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-8,13,17-18H,9-12H2,1-4H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide?
N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide has a molecular weight of 367.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide is sourced from PubChem (CID 23027035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).