4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine

C10H12N4S — CID 80851768

IUPAC4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cscc1CNc1ccnc(N)n1
InChIInChI=1S/C10H12N4S/c1-7-5-15-6-8(7)4-13-9-2-3-12-10(11)14-9/h2-3,5-6H,4H2,1H3,(H3,11,12,13,14)
InChIKeyVIOHDQIDIXDSRS-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.04
Rot. Bonds3

About 4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine

4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80851768) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80851768
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cscc1CNc1ccnc(N)n1
InChIInChI=1S/C10H12N4S/c1-7-5-15-6-8(7)4-13-9-2-3-12-10(11)14-9/h2-3,5-6H,4H2,1H3,(H3,11,12,13,14)
InChIKeyVIOHDQIDIXDSRS-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-methylthiophen-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80855068
4-N-[(4-methylthiophen-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80852357
4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
CID 80818112
2-ethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine
CID 80942307
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831876
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80850064
4-N-[(4-methylthiophen-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950406
N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638234
4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777882
5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-2-amine
CID 104606225
3-N-[(4-methylthiophen-3-yl)methyl]benzene-1,3-diamine
CID 22245339
4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 131123469

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine (CID 80851768) is 4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine is Cc1cscc1CNc1ccnc(N)n1.
What is the InChIKey of 4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is VIOHDQIDIXDSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-5-15-6-8(7)4-13-9-2-3-12-10(11)14-9/h2-3,5-6H,4H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine?
4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 220.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80851768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).