6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine

C13H17N5S — CID 50977960

IUPAC6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCN(Cc1ccsc1)c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C13H17N5S/c1-18(7-9-4-5-19-8-9)12-6-11(15-10-2-3-10)16-13(14)17-12/h4-6,8,10H,2-3,7H2,1H3,(H3,14,15,16,17)
InChIKeyBBONNXSXFIVKTN-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.33
Rot. Bonds5

About 6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine

6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine (PubChem CID 50977960) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine
PubChem CID50977960
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCN(Cc1ccsc1)c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C13H17N5S/c1-18(7-9-4-5-19-8-9)12-6-11(15-10-2-3-10)16-13(14)17-12/h4-6,8,10H,2-3,7H2,1H3,(H3,14,15,16,17)
InChIKeyBBONNXSXFIVKTN-UHFFFAOYSA-N
XLogP2.33
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine (CID 50977960) is 6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine is CN(Cc1ccsc1)c1cc(NC2CC2)nc(N)n1.
What is the InChIKey of 6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine?
The InChIKey is BBONNXSXFIVKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-18(7-9-4-5-19-8-9)12-6-11(15-10-2-3-10)16-13(14)17-12/h4-6,8,10H,2-3,7H2,1H3,(H3,14,15,16,17).
What are the key properties of 6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine?
6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine has a molecular weight of 275.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 50977960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).