2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine

C16H17N3S — CID 79412130

IUPAC2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCc1nc(N)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C16H17N3S/c1-2-3-9-13-18-15(17)14-12(10-20-16(14)19-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,17,18,19)
InChIKeyOTFNXUHAYWYUMP-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.28
Rot. Bonds4

About 2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine

2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 79412130) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID79412130
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCc1nc(N)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C16H17N3S/c1-2-3-9-13-18-15(17)14-12(10-20-16(14)19-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,17,18,19)
InChIKeyOTFNXUHAYWYUMP-UHFFFAOYSA-N
XLogP4.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189072
[2-(2-methoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62251386
4-chloro-N-ethyl-5-phenylthieno[2,3-d]pyrimidin-2-amine
CID 82309519
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660
2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine
CID 12824912
2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine
CID 123804426
2-ethyl-5-phenylpyrimidin-4-amine
CID 62900948
2-(4-amino-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 42537287
2-butyl-8-(4-phenylsulfanylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 22115397
6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine
CID 141284004
2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68622626
5,10-didodecyl-1,6-diphenyl-[1]benzothiolo[7,6-g][1]benzothiole
CID 58151117

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 79412130) is 2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine is CCCCc1nc(N)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OTFNXUHAYWYUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-3-9-13-18-15(17)14-12(10-20-16(14)19-13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,17,18,19).
What are the key properties of 2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79412130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).