1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine

C18H20N4S — CID 68791212

IUPAC1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SMILESc1ccc(NC2CCCCC2)c(Nc2ncnc3sccc23)c1
InChIInChI=1S/C18H20N4S/c1-2-6-13(7-3-1)21-15-8-4-5-9-16(15)22-17-14-10-11-23-18(14)20-12-19-17/h4-5,8-13,21H,1-3,6-7H2,(H,19,20,22)
InChIKeySDBZLRUZZIBIHF-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.18
Rot. Bonds4

About 1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine

1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine (PubChem CID 68791212) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine
PubChem CID68791212
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SMILESc1ccc(NC2CCCCC2)c(Nc2ncnc3sccc23)c1
InChIInChI=1S/C18H20N4S/c1-2-6-13(7-3-1)21-15-8-4-5-9-16(15)22-17-14-10-11-23-18(14)20-12-19-17/h4-5,8-13,21H,1-3,6-7H2,(H,19,20,22)
InChIKeySDBZLRUZZIBIHF-UHFFFAOYSA-N
XLogP5.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclohexyloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 15985997
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59360026
N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 8934299
N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 59360037
N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104576554
N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2538570
N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399288
N,N-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)phenoxy]pyrrolidine-1-carboxamide
CID 68792388
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941
N-(3-methylsulfanylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 103704155
N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 2239015

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine?
The IUPAC name of 1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine (CID 68791212) is 1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine?
The canonical SMILES for 1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine is c1ccc(NC2CCCCC2)c(Nc2ncnc3sccc23)c1.
What is the InChIKey of 1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine?
The InChIKey is SDBZLRUZZIBIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-2-6-13(7-3-1)21-15-8-4-5-9-16(15)22-17-14-10-11-23-18(14)20-12-19-17/h4-5,8-13,21H,1-3,6-7H2,(H,19,20,22).
What are the key properties of 1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine?
1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine has a molecular weight of 324.45 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine is sourced from PubChem (CID 68791212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).