N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine

C16H17N3S — CID 60701821

IUPACN-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(CCc1ccccc1)Nc1ncnc2ccsc12
InChIInChI=1S/C16H17N3S/c1-12(7-8-13-5-3-2-4-6-13)19-16-15-14(9-10-20-15)17-11-18-16/h2-6,9-12H,7-8H2,1H3,(H,17,18,19)
InChIKeyFFCUIBJIPDCBLN-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.12
Rot. Bonds5

About N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine

N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 60701821) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID60701821
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCC(CCc1ccccc1)Nc1ncnc2ccsc12
InChIInChI=1S/C16H17N3S/c1-12(7-8-13-5-3-2-4-6-13)19-16-15-14(9-10-20-15)17-11-18-16/h2-6,9-12H,7-8H2,1H3,(H,17,18,19)
InChIKeyFFCUIBJIPDCBLN-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978
N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 22112828
N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17450208
N-[2-[4-(2-phenylethoxy)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 23631937
5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 80900314
6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 63729500
N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597699
N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 114138437
N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 41131806
N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 103578173
N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
CID 79003294

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine (CID 60701821) is N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine is CC(CCc1ccccc1)Nc1ncnc2ccsc12.
What is the InChIKey of N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is FFCUIBJIPDCBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-12(7-8-13-5-3-2-4-6-13)19-16-15-14(9-10-20-15)17-11-18-16/h2-6,9-12H,7-8H2,1H3,(H,17,18,19).
What are the key properties of N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine?
N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 60701821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).