4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine

C20H23N5S — CID 171355718

IUPAC4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESc1ccc(-c2nc(CNc3nccc(NC4CCCCC4)n3)cs2)cc1
InChIInChI=1S/C20H23N5S/c1-3-7-15(8-4-1)19-24-17(14-26-19)13-22-20-21-12-11-18(25-20)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-12,14,16H,2,5-6,9-10,13H2,(H2,21,22,23,25)
InChIKeyROALZJVDIFVDHW-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.96
Rot. Bonds6

About 4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine

4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 171355718) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID171355718
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESc1ccc(-c2nc(CNc3nccc(NC4CCCCC4)n3)cs2)cc1
InChIInChI=1S/C20H23N5S/c1-3-7-15(8-4-1)19-24-17(14-26-19)13-22-20-21-12-11-18(25-20)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-12,14,16H,2,5-6,9-10,13H2,(H2,21,22,23,25)
InChIKeyROALZJVDIFVDHW-UHFFFAOYSA-N
XLogP4.96
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 171355718) is 4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is c1ccc(-c2nc(CNc3nccc(NC4CCCCC4)n3)cs2)cc1.
What is the InChIKey of 4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ROALZJVDIFVDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-3-7-15(8-4-1)19-24-17(14-26-19)13-22-20-21-12-11-18(25-20)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-12,14,16H,2,5-6,9-10,13H2,(H2,21,22,23,25).
What are the key properties of 4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 365.51 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 171355718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).