5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

C16H24N4S — CID 80780258

IUPAC5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(Cc2cccs2)C(C)C)c1C
InChIInChI=1S/C16H24N4S/c1-5-8-17-15-13(4)16(19-11-18-15)20(12(2)3)10-14-7-6-9-21-14/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,17,18,19)
InChIKeyHJEQTWIQIUQZRH-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.08
Rot. Bonds7

About 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80780258) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80780258
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(Cc2cccs2)C(C)C)c1C
InChIInChI=1S/C16H24N4S/c1-5-8-17-15-13(4)16(19-11-18-15)20(12(2)3)10-14-7-6-9-21-14/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,17,18,19)
InChIKeyHJEQTWIQIUQZRH-UHFFFAOYSA-N
XLogP4.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778927
6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80780237
5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872234
4-N-(2-methoxyethyl)-5-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 82952827
6-hydrazinyl-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896519
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
6-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907283
5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80813455
4-N,5-dimethyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792963
6-chloro-4,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 63271982
6-chloro-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63728632
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80780258) is 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is CCCNc1ncnc(N(Cc2cccs2)C(C)C)c1C.
What is the InChIKey of 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is HJEQTWIQIUQZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-5-8-17-15-13(4)16(19-11-18-15)20(12(2)3)10-14-7-6-9-21-14/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,17,18,19).
What are the key properties of 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80780258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).