2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine

C17H25N3S — CID 10494678

IUPAC2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(NCC2CCCCC2)c2sccc2n1
InChIInChI=1S/C17H25N3S/c1-2-3-9-15-19-14-10-11-21-16(14)17(20-15)18-12-13-7-5-4-6-8-13/h10-11,13H,2-9,12H2,1H3,(H,18,19,20)
InChIKeyMTPRLRFKGHNVPA-UHFFFAOYSA-N
MW303.47 g/mol
LogP5.03
Rot. Bonds6

About 2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine

2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 10494678) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID10494678
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(NCC2CCCCC2)c2sccc2n1
InChIInChI=1S/C17H25N3S/c1-2-3-9-15-19-14-10-11-21-16(14)17(20-15)18-12-13-7-5-4-6-8-13/h10-11,13H,2-9,12H2,1H3,(H,18,19,20)
InChIKeyMTPRLRFKGHNVPA-UHFFFAOYSA-N
XLogP5.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine (CID 10494678) is 2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine is CCCCc1nc(NCC2CCCCC2)c2sccc2n1.
What is the InChIKey of 2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is MTPRLRFKGHNVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-2-3-9-15-19-14-10-11-21-16(14)17(20-15)18-12-13-7-5-4-6-8-13/h10-11,13H,2-9,12H2,1H3,(H,18,19,20).
What are the key properties of 2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine?
2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 303.47 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(cyclohexylmethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10494678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).