4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C12H18N4S — CID 112750443

IUPAC4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCCC(Nc1nc(N)nc2ccsc12)C(C)C
InChIInChI=1S/C12H18N4S/c1-4-8(7(2)3)14-11-10-9(5-6-17-10)15-12(13)16-11/h5-8H,4H2,1-3H3,(H3,13,14,15,16)
InChIKeyPBVBTLKACVDSID-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.12
Rot. Bonds4

About 4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine

4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 112750443) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID112750443
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCCC(Nc1nc(N)nc2ccsc12)C(C)C
InChIInChI=1S/C12H18N4S/c1-4-8(7(2)3)14-11-10-9(5-6-17-10)15-12(13)16-11/h5-8H,4H2,1-3H3,(H3,13,14,15,16)
InChIKeyPBVBTLKACVDSID-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 112750443) is 4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine is CCC(Nc1nc(N)nc2ccsc12)C(C)C.
What is the InChIKey of 4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is PBVBTLKACVDSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-8(7(2)3)14-11-10-9(5-6-17-10)15-12(13)16-11/h5-8H,4H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 250.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 112750443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).