4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C15H22N4S — CID 103324544

IUPAC4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(CC)C2CC2)c2cc(C)sc2n1
InChIInChI=1S/C15H22N4S/c1-4-8-16-15-17-13(19(5-2)11-6-7-11)12-9-10(3)20-14(12)18-15/h9,11H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyIKXJVSRYEFBDOW-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.81
Rot. Bonds6

About 4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324544) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324544
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(CC)C2CC2)c2cc(C)sc2n1
InChIInChI=1S/C15H22N4S/c1-4-8-16-15-17-13(19(5-2)11-6-7-11)12-9-10(3)20-14(12)18-15/h9,11H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyIKXJVSRYEFBDOW-UHFFFAOYSA-N
XLogP3.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324544) is 4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(N(CC)C2CC2)c2cc(C)sc2n1.
What is the InChIKey of 4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IKXJVSRYEFBDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-8-16-15-17-13(19(5-2)11-6-7-11)12-9-10(3)20-14(12)18-15/h9,11H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).