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

C13H20N4S — CID 103324758

IUPAC2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC(C)CC(C)C)c2ccsc2n1
InChIInChI=1S/C13H20N4S/c1-8(2)7-9(3)15-11-10-5-6-18-12(10)17-13(14-4)16-11/h5-6,8-9H,7H2,1-4H3,(H2,14,15,16,17)
InChIKeyOOQYDTWXUHQGMR-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.58
Rot. Bonds5

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

2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324758) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324758
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC(C)CC(C)C)c2ccsc2n1
InChIInChI=1S/C13H20N4S/c1-8(2)7-9(3)15-11-10-5-6-18-12(10)17-13(14-4)16-11/h5-6,8-9H,7H2,1-4H3,(H2,14,15,16,17)
InChIKeyOOQYDTWXUHQGMR-UHFFFAOYSA-N
XLogP3.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(dimethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329471
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326180
4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081
4-N-[1-(diethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326985
2-N-methyl-4-N-(2-methylpentan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325944
2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324196
4-methyl-3-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 106358078
2-N-ethyl-4-N-(4-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328574
2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333804
2-N-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326031
N,N-diethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 103329780

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324758) is 2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NC(C)CC(C)C)c2ccsc2n1.
What is the InChIKey of 2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OOQYDTWXUHQGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-8(2)7-9(3)15-11-10-5-6-18-12(10)17-13(14-4)16-11/h5-6,8-9H,7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 264.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).