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

C20H26FN5O — CID 23027830

IUPACN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide
SMILESCc1cc(N(C)C)nc(NC2CCC(NC(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H26FN5O/c1-13-12-18(26(2)3)25-20(22-13)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyUZHXGTFGWPKPAD-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.14
Rot. Bonds5

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

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide (PubChem CID 23027830) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide
PubChem CID23027830
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide
SMILESCc1cc(N(C)C)nc(NC2CCC(NC(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H26FN5O/c1-13-12-18(26(2)3)25-20(22-13)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyUZHXGTFGWPKPAD-UHFFFAOYSA-N
XLogP3.14
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.14
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)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide (CID 23027830) is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide is Cc1cc(N(C)C)nc(NC2CCC(NC(=O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide?
The InChIKey is UZHXGTFGWPKPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-13-12-18(26(2)3)25-20(22-13)24-17-10-8-16(9-11-17)23-19(27)14-4-6-15(21)7-5-14/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide?
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide has a molecular weight of 371.46 g/mol, XLogP of 3.14, 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)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide is sourced from PubChem (CID 23027830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).