6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

C10H12N4OS — CID 103817433

IUPAC6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1cc(NCc2cccs2)nc(N)n1
InChIInChI=1S/C10H12N4OS/c1-15-9-5-8(13-10(11)14-9)12-6-7-3-2-4-16-7/h2-5H,6H2,1H3,(H3,11,12,13,14)
InChIKeyOJDIKWGEEHWAKT-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.74
Rot. Bonds4

About 6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 103817433) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID103817433
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1cc(NCc2cccs2)nc(N)n1
InChIInChI=1S/C10H12N4OS/c1-15-9-5-8(13-10(11)14-9)12-6-7-3-2-4-16-7/h2-5H,6H2,1H3,(H3,11,12,13,14)
InChIKeyOJDIKWGEEHWAKT-UHFFFAOYSA-N
XLogP1.74
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80774344
6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773315
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 113268079
4-N-[(3-fluorophenyl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053013
6-ethoxy-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 63590573
6-methoxy-2-methyl-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 115748960
6-N,2-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772969
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114181079
2-ethyl-6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933272
6-N-ethyl-2-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80955053

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (CID 103817433) is 6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is COc1cc(NCc2cccs2)nc(N)n1.
What is the InChIKey of 6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is OJDIKWGEEHWAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-15-9-5-8(13-10(11)14-9)12-6-7-3-2-4-16-7/h2-5H,6H2,1H3,(H3,11,12,13,14).
What are the key properties of 6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 236.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 103817433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).