6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine

C21H27N3S — CID 137432066

IUPAC6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCC(C)c1nc(NCCCc2ccccc2)c2cc(C)sc2n1
InChIInChI=1S/C21H27N3S/c1-4-9-15(2)19-23-20(18-14-16(3)25-21(18)24-19)22-13-8-12-17-10-6-5-7-11-17/h5-7,10-11,14-15H,4,8-9,12-13H2,1-3H3,(H,22,23,24)
InChIKeyRHXWXQXEVFWJQQ-UHFFFAOYSA-N
MW353.54 g/mol
LogP5.95
Rot. Bonds8

About 6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine

6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 137432066) has the molecular formula C21H27N3S and a molecular weight of 353.54 g/mol. Its IUPAC name is 6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID137432066
Molecular FormulaC21H27N3S
Molecular Weight353.54 g/mol
Exact Mass353.19
IUPAC Name6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCC(C)c1nc(NCCCc2ccccc2)c2cc(C)sc2n1
InChIInChI=1S/C21H27N3S/c1-4-9-15(2)19-23-20(18-14-16(3)25-21(18)24-19)22-13-8-12-17-10-6-5-7-11-17/h5-7,10-11,14-15H,4,8-9,12-13H2,1-3H3,(H,22,23,24)
InChIKeyRHXWXQXEVFWJQQ-UHFFFAOYSA-N
XLogP5.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.54
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 166119800
2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 166120000
6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 166119848
6-methyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460517
6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18460042
6-[(2-benzyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 91965084
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333854
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
N-[3-(4-bromophenyl)propyl]-6-methyl-2-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-4-amine
CID 166119985
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
2-chloro-N-[3-[4-(5-fluoropyrazin-2-yl)phenyl]propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 166120163

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 137432066) is 6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine is CCCC(C)c1nc(NCCCc2ccccc2)c2cc(C)sc2n1.
What is the InChIKey of 6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RHXWXQXEVFWJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3S/c1-4-9-15(2)19-23-20(18-14-16(3)25-21(18)24-19)22-13-8-12-17-10-6-5-7-11-17/h5-7,10-11,14-15H,4,8-9,12-13H2,1-3H3,(H,22,23,24).
What are the key properties of 6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 353.54 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pentan-2-yl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 137432066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).