5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine

C16H24N4S — CID 80813455

IUPAC5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)Cc2cccs2)c1CC
InChIInChI=1S/C16H24N4S/c1-4-8-17-15-14(5-2)16(19-11-18-15)20-12(3)10-13-7-6-9-21-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyAUZMSAZEGNRLQW-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.97
Rot. Bonds8

About 5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine

5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80813455) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID80813455
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)Cc2cccs2)c1CC
InChIInChI=1S/C16H24N4S/c1-4-8-17-15-14(5-2)16(19-11-18-15)20-12(3)10-13-7-6-9-21-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyAUZMSAZEGNRLQW-UHFFFAOYSA-N
XLogP3.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 63730032
6-ethoxy-5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 66327692
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-(1-thiophen-2-ylpropan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184676
N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 73254462
6-chloro-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80829700
5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80780258
5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80918079
5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872234
5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80807668
4-N-butan-2-yl-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 22538944
5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 80802948

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine (CID 80813455) is 5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)Cc2cccs2)c1CC.
What is the InChIKey of 5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is AUZMSAZEGNRLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-8-17-15-14(5-2)16(19-11-18-15)20-12(3)10-13-7-6-9-21-13/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine?
5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80813455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).