2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine

C14H22N4S — CID 79662112

IUPAC2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)c1ncnc2sccc12
InChIInChI=1S/C14H22N4S/c1-4-6-18(9-14(2,3)8-15)12-11-5-7-19-13(11)17-10-16-12/h5,7,10H,4,6,8-9,15H2,1-3H3
InChIKeyHENHYBXWKGYRQD-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.89
Rot. Bonds6

About 2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine

2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine (PubChem CID 79662112) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
PubChem CID79662112
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)c1ncnc2sccc12
InChIInChI=1S/C14H22N4S/c1-4-6-18(9-14(2,3)8-15)12-11-5-7-19-13(11)17-10-16-12/h5,7,10H,4,6,8-9,15H2,1-3H3
InChIKeyHENHYBXWKGYRQD-UHFFFAOYSA-N
XLogP2.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine (CID 79662112) is 2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine is CCCN(CC(C)(C)CN)c1ncnc2sccc12.
What is the InChIKey of 2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine?
The InChIKey is HENHYBXWKGYRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-6-18(9-14(2,3)8-15)12-11-5-7-19-13(11)17-10-16-12/h5,7,10H,4,6,8-9,15H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine?
2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine has a molecular weight of 278.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 79662112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).