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

C16H24N4S — CID 80780237

IUPAC6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1N(Cc1cccs1)C(C)C
InChIInChI=1S/C16H24N4S/c1-5-7-14-15(17-4)18-11-19-16(14)20(12(2)3)10-13-8-6-9-21-13/h6,8-9,11-12H,5,7,10H2,1-4H3,(H,17,18,19)
InChIKeyPVTYZYQXPCWBJP-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.95
Rot. Bonds7

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

6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80780237) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80780237
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1N(Cc1cccs1)C(C)C
InChIInChI=1S/C16H24N4S/c1-5-7-14-15(17-4)18-11-19-16(14)20(12(2)3)10-13-8-6-9-21-13/h6,8-9,11-12H,5,7,10H2,1-4H3,(H,17,18,19)
InChIKeyPVTYZYQXPCWBJP-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80780258
6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80905798
6-hydrazinyl-N-methyl-5-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80929501
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
5-bromo-2-N-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809500
5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80810727
2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde
CID 114055506
4-N-ethyl-6-N-methyl-5-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80780699
6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 63730032
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809772
5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80807668

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80780237) is 6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is CCCc1c(NC)ncnc1N(Cc1cccs1)C(C)C.
What is the InChIKey of 6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is PVTYZYQXPCWBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-5-7-14-15(17-4)18-11-19-16(14)20(12(2)3)10-13-8-6-9-21-13/h6,8-9,11-12H,5,7,10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80780237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).