4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C15H22N4S — CID 103325739

IUPAC4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCN(CC1CC1)c1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C15H22N4S/c1-4-7-19(9-11-5-6-11)13-12-8-10(2)20-14(12)18-15(16-3)17-13/h8,11H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyIIWMQKBSYLANFE-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.67
Rot. Bonds6

About 4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325739) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325739
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCN(CC1CC1)c1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C15H22N4S/c1-4-7-19(9-11-5-6-11)13-12-8-10(2)20-14(12)18-15(16-3)17-13/h8,11H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyIIWMQKBSYLANFE-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103325739) is 4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCN(CC1CC1)c1nc(NC)nc2sc(C)cc12.
What is the InChIKey of 4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IIWMQKBSYLANFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-7-19(9-11-5-6-11)13-12-8-10(2)20-14(12)18-15(16-3)17-13/h8,11H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).