6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine

C10H13N5S — CID 80774344

IUPAC6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCc2cccs2)nc(N)n1
InChIInChI=1S/C10H13N5S/c1-12-8-5-9(15-10(11)14-8)13-6-7-3-2-4-16-7/h2-5H,6H2,1H3,(H4,11,12,13,14,15)
InChIKeyPYUPFTPWFGEKDU-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.77
Rot. Bonds4

About 6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine

6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine (PubChem CID 80774344) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine
PubChem CID80774344
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCc2cccs2)nc(N)n1
InChIInChI=1S/C10H13N5S/c1-12-8-5-9(15-10(11)14-8)13-6-7-3-2-4-16-7/h2-5H,6H2,1H3,(H4,11,12,13,14,15)
InChIKeyPYUPFTPWFGEKDU-UHFFFAOYSA-N
XLogP1.77
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N,2-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772969
2-ethyl-6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933272
6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817433
6-N-methyl-2-N-(thiophen-2-ylmethyl)pyrazine-2,6-diamine
CID 80771921
4-N-[(3-bromothiophen-2-yl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80852044
6-N-ethyl-2-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80955053
6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80832161
2-ethyl-6-N-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80934183
2-cyclopropyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80969142
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80943801

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine (CID 80774344) is 6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine is CNc1cc(NCc2cccs2)nc(N)n1.
What is the InChIKey of 6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine?
The InChIKey is PYUPFTPWFGEKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-12-8-5-9(15-10(11)14-8)13-6-7-3-2-4-16-7/h2-5H,6H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine?
6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine has a molecular weight of 235.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80774344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).