6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide

C21H29N5O5S — CID 25182775

IUPAC6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide
SMILESCN(c1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(O)CO)cc2)ncn1)C1CCCCC1
InChIInChI=1S/C21H29N5O5S/c1-26(16-5-3-2-4-6-16)20-11-19(22-14-23-20)21(29)25-15-7-9-18(10-8-15)32(30,31)24-12-17(28)13-27/h7-11,14,16-17,24,27-28H,2-6,12-13H2,1H3,(H,25,29)
InChIKeySPPISUWZLATKOC-UHFFFAOYSA-N
MW463.56 g/mol
LogP1.13
Rot. Bonds9

About 6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide

6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 25182775) has the molecular formula C21H29N5O5S and a molecular weight of 463.56 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide
PubChem CID25182775
Molecular FormulaC21H29N5O5S
Molecular Weight463.56 g/mol
Exact Mass463.19
IUPAC Name6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide
SMILESCN(c1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(O)CO)cc2)ncn1)C1CCCCC1
InChIInChI=1S/C21H29N5O5S/c1-26(16-5-3-2-4-6-16)20-11-19(22-14-23-20)21(29)25-15-7-9-18(10-8-15)32(30,31)24-12-17(28)13-27/h7-11,14,16-17,24,27-28H,2-6,12-13H2,1H3,(H,25,29)
InChIKeySPPISUWZLATKOC-UHFFFAOYSA-N
XLogP1.13
TPSA144.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 59446976
N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide
CID 66176694
4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
CID 11154269
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]pyrimidine-4-carboxamide
CID 59446925
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-[4-[2-[acetyl(cyclopentyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113052884
ethyl 4-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonylamino]butanoate
CID 67529929
2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]sulfonyl-methylamino]acetic acid
CID 59447014
methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]-2-methylpropanoate
CID 25182927
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide (CID 25182775) is 6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide is CN(c1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(O)CO)cc2)ncn1)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is SPPISUWZLATKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O5S/c1-26(16-5-3-2-4-6-16)20-11-19(22-14-23-20)21(29)25-15-7-9-18(10-8-15)32(30,31)24-12-17(28)13-27/h7-11,14,16-17,24,27-28H,2-6,12-13H2,1H3,(H,25,29).
What are the key properties of 6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide?
6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 1.13, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(methyl)amino]-N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 25182775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).