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

C15H22N4S — CID 80849189

IUPAC2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(N(C)C(C)Cc2cccs2)n1
InChIInChI=1S/C15H22N4S/c1-5-16-15-17-11(2)9-14(18-15)19(4)12(3)10-13-7-6-8-20-13/h6-9,12H,5,10H2,1-4H3,(H,16,17,18)
InChIKeyHLNNURALUQAOKJ-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.35
Rot. Bonds6

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

2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80849189) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
PubChem CID80849189
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(N(C)C(C)Cc2cccs2)n1
InChIInChI=1S/C15H22N4S/c1-5-16-15-17-11(2)9-14(18-15)19(4)12(3)10-13-7-6-8-20-13/h6-9,12H,5,10H2,1-4H3,(H,16,17,18)
InChIKeyHLNNURALUQAOKJ-UHFFFAOYSA-N
XLogP3.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N,6-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80850116
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488087
2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808333
4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80836659
2-tert-butyl-4-N-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80959395
2-N,6-dimethyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809499
2-hydrazinyl-6-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896289
6-methyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]pyrimidin-4-amine
CID 80657795
6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80951010
6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837356
2-N,4-N,5-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849338
3-chloro-N,5,6-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 79488274

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine (CID 80849189) is 2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine is CCNc1nc(C)cc(N(C)C(C)Cc2cccs2)n1.
What is the InChIKey of 2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is HLNNURALUQAOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-16-15-17-11(2)9-14(18-15)19(4)12(3)10-13-7-6-8-20-13/h6-9,12H,5,10H2,1-4H3,(H,16,17,18).
What are the key properties of 2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80849189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).