2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine

C12H16N4S — CID 133383518

IUPAC2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)Cc2ccsc2)n1
InChIInChI=1S/C12H16N4S/c1-15(2)11-4-6-13-12(14-11)16(3)8-10-5-7-17-9-10/h4-7,9H,8H2,1-3H3
InChIKeyBZPSWQGYIBRGNL-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.24
Rot. Bonds4

About 2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine

2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 133383518) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID133383518
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)Cc2ccsc2)n1
InChIInChI=1S/C12H16N4S/c1-15(2)11-4-6-13-12(14-11)16(3)8-10-5-7-17-9-10/h4-7,9H,8H2,1-3H3
InChIKeyBZPSWQGYIBRGNL-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine (CID 133383518) is 2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine is CN(C)c1ccnc(N(C)Cc2ccsc2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is BZPSWQGYIBRGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-15(2)11-4-6-13-12(14-11)16(3)8-10-5-7-17-9-10/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 248.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133383518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).