2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

C13H18N4S — CID 80798994

IUPAC2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(N(CC)Cc2cccs2)n1
InChIInChI=1S/C13H18N4S/c1-3-14-13-15-8-7-12(16-13)17(4-2)10-11-6-5-9-18-11/h5-9H,3-4,10H2,1-2H3,(H,14,15,16)
InChIKeyCCFKRXXZXRWHKH-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.00
Rot. Bonds6

About 2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80798994) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80798994
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(N(CC)Cc2cccs2)n1
InChIInChI=1S/C13H18N4S/c1-3-14-13-15-8-7-12(16-13)17(4-2)10-11-6-5-9-18-11/h5-9H,3-4,10H2,1-2H3,(H,14,15,16)
InChIKeyCCFKRXXZXRWHKH-UHFFFAOYSA-N
XLogP3.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
2-N,6-N-diethyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 80798911
2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80779800
6-chloro-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799671
6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80779648
4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933060
4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61438001
N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 78818781
4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564361
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80830294
N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 107379721
4-N-ethyl-5-fluoro-2-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80799062

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (CID 80798994) is 2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is CCNc1nccc(N(CC)Cc2cccs2)n1.
What is the InChIKey of 2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is CCFKRXXZXRWHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-14-13-15-8-7-12(16-13)17(4-2)10-11-6-5-9-18-11/h5-9H,3-4,10H2,1-2H3,(H,14,15,16).
What are the key properties of 2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80798994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).