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

C12H16N4OS — CID 103329026

IUPAC4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC1(CNc2nc(N)nc3sccc23)CCCO1
InChIInChI=1S/C12H16N4OS/c1-12(4-2-5-17-12)7-14-9-8-3-6-18-10(8)16-11(13)15-9/h3,6H,2,4-5,7H2,1H3,(H3,13,14,15,16)
InChIKeyKIQHUMFKQNCJAA-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.25
Rot. Bonds3

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

4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329026) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329026
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC1(CNc2nc(N)nc3sccc23)CCCO1
InChIInChI=1S/C12H16N4OS/c1-12(4-2-5-17-12)7-14-9-8-3-6-18-10(8)16-11(13)15-9/h3,6H,2,4-5,7H2,1H3,(H3,13,14,15,16)
InChIKeyKIQHUMFKQNCJAA-UHFFFAOYSA-N
XLogP2.25
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327918
[1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 103329348
3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103480
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984701
5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 114148662
4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106015430
4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 107421156
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647
4-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327389
4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 107818983

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103329026) is 4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is CC1(CNc2nc(N)nc3sccc23)CCCO1.
What is the InChIKey of 4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is KIQHUMFKQNCJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-12(4-2-5-17-12)7-14-9-8-3-6-18-10(8)16-11(13)15-9/h3,6H,2,4-5,7H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 264.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).