2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C14H20N4OS — CID 103327884

IUPAC2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)CC2CCCOC2)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c1-15-14-16-12(11-5-7-20-13(11)17-14)18(2)8-10-4-3-6-19-9-10/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyQJGHVMPFJCBPIN-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.60
Rot. Bonds4

About 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327884) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327884
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)CC2CCCOC2)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c1-15-14-16-12(11-5-7-20-13(11)17-14)18(2)8-10-4-3-6-19-9-10/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyQJGHVMPFJCBPIN-UHFFFAOYSA-N
XLogP2.60
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327884) is 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N(C)CC2CCCOC2)c2ccsc2n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QJGHVMPFJCBPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-15-14-16-12(11-5-7-20-13(11)17-14)18(2)8-10-4-3-6-19-9-10/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 292.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).