2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine

C14H20N4S — CID 80824404

IUPAC2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2ccsc2)nc(C)n1
InChIInChI=1S/C14H20N4S/c1-4-6-15-13-8-14(18-11(3)17-13)16-10(2)12-5-7-19-9-12/h5,7-10H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeySMQDZPPOISHBAM-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.84
Rot. Bonds6

About 2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine

2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80824404) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
PubChem CID80824404
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2ccsc2)nc(C)n1
InChIInChI=1S/C14H20N4S/c1-4-6-15-13-8-14(18-11(3)17-13)16-10(2)12-5-7-19-9-12/h5,7-10H,4,6H2,1-3H3,(H2,15,16,17,18)
InChIKeySMQDZPPOISHBAM-UHFFFAOYSA-N
XLogP3.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552
2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
CID 80851272
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80800955
2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783678
5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80825152
2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80798243
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80805122
4-N-[1-(4-bromophenyl)ethyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80802039
2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80961771
2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83076667
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine (CID 80824404) is 2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine is CCCNc1cc(NC(C)c2ccsc2)nc(C)n1.
What is the InChIKey of 2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is SMQDZPPOISHBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-6-15-13-8-14(18-11(3)17-13)16-10(2)12-5-7-19-9-12/h5,7-10H,4,6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80824404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).