3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine

C14H21N3S — CID 63201763

IUPAC3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine
SMILESCCCNC(Cc1ncnc2ccsc12)C(C)C
InChIInChI=1S/C14H21N3S/c1-4-6-15-12(10(2)3)8-13-14-11(5-7-18-14)16-9-17-13/h5,7,9-10,12,15H,4,6,8H2,1-3H3
InChIKeyJZYFRLRFVMYFTD-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.26
Rot. Bonds6

About 3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine

3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine (PubChem CID 63201763) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine
PubChem CID63201763
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine
SMILESCCCNC(Cc1ncnc2ccsc12)C(C)C
InChIInChI=1S/C14H21N3S/c1-4-6-15-12(10(2)3)8-13-14-11(5-7-18-14)16-9-17-13/h5,7,9-10,12,15H,4,6,8H2,1-3H3
InChIKeyJZYFRLRFVMYFTD-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine
CID 63202380
4-butylthieno[3,2-d]pyrimidine
CID 178009105
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
1-(2,1-benzothiazol-3-yl)-3-methyl-N-propylbutan-2-amine
CID 66355964
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575
N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191
3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105014894
N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
CID 79003294
1-(3,5-dichloro-2-pyridinyl)-3-methyl-N-propylbutan-2-amine
CID 63202230
N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 114138437
diethyl 2-thieno[3,2-d]pyrimidin-4-ylpropanedioate
CID 104573464

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine?
The IUPAC name of 3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine (CID 63201763) is 3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine?
The canonical SMILES for 3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine is CCCNC(Cc1ncnc2ccsc12)C(C)C.
What is the InChIKey of 3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine?
The InChIKey is JZYFRLRFVMYFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-6-15-12(10(2)3)8-13-14-11(5-7-18-14)16-9-17-13/h5,7,9-10,12,15H,4,6,8H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine?
3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-thieno[3,2-d]pyrimidin-4-ylbutan-2-amine is sourced from PubChem (CID 63201763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).