2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine

C12H16N4OS — CID 112750459

IUPAC2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CCOC2)c2sccc2n1
InChIInChI=1S/C12H16N4OS/c1-13-12-15-9-3-5-18-10(9)11(16-12)14-6-8-2-4-17-7-8/h3,5,8H,2,4,6-7H2,1H3,(H2,13,14,15,16)
InChIKeyDBURPZPJBKUNEA-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.18
Rot. Bonds4

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

2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 112750459) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID112750459
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCC2CCOC2)c2sccc2n1
InChIInChI=1S/C12H16N4OS/c1-13-12-15-9-3-5-18-10(9)11(16-12)14-6-8-2-4-17-7-8/h3,5,8H,2,4,6-7H2,1H3,(H2,13,14,15,16)
InChIKeyDBURPZPJBKUNEA-UHFFFAOYSA-N
XLogP2.18
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327381
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750421
2-N-methyl-6-N-(oxolan-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785045
2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321534
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128
4-N-methyl-2-N-(oxolan-3-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80823144
2-chloro-N-[(3-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 112750291
7-chloro-N-(oxolan-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 62823828
6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327900
N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 47283434
2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114131301
4-ethyl-N-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine
CID 62963555

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 112750459) is 2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine is CNc1nc(NCC2CCOC2)c2sccc2n1.
What is the InChIKey of 2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is DBURPZPJBKUNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-13-12-15-9-3-5-18-10(9)11(16-12)14-6-8-2-4-17-7-8/h3,5,8H,2,4,6-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 264.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 112750459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).