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

C15H21N5S — CID 80779786

IUPAC4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(Cc2ccsc2)C2CC2)nc(N)n1
InChIInChI=1S/C15H21N5S/c1-2-6-17-13-8-14(19-15(16)18-13)20(12-3-4-12)9-11-5-7-21-10-11/h5,7-8,10,12H,2-4,6,9H2,1H3,(H3,16,17,18,19)
InChIKeyWGTCSOQZICKWMP-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.11
Rot. Bonds7

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

4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine (PubChem CID 80779786) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine
PubChem CID80779786
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(Cc2ccsc2)C2CC2)nc(N)n1
InChIInChI=1S/C15H21N5S/c1-2-6-17-13-8-14(19-15(16)18-13)20(12-3-4-12)9-11-5-7-21-10-11/h5,7-8,10,12H,2-4,6,9H2,1H3,(H3,16,17,18,19)
InChIKeyWGTCSOQZICKWMP-UHFFFAOYSA-N
XLogP3.11
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine
CID 80798980
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80789824
N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80896481
6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80938379
2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 79173041
4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325687
2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine
CID 61433950
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986678
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
6-bromo-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 116796613
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640144

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine (CID 80779786) is 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine is CCCNc1cc(N(Cc2ccsc2)C2CC2)nc(N)n1.
What is the InChIKey of 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine?
The InChIKey is WGTCSOQZICKWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-2-6-17-13-8-14(19-15(16)18-13)20(12-3-4-12)9-11-5-7-21-10-11/h5,7-8,10,12H,2-4,6,9H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine?
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine has a molecular weight of 303.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80779786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).