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

C15H22N4S — CID 80808333

IUPAC2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(N(Cc2cccs2)C(C)C)n1
InChIInChI=1S/C15H22N4S/c1-5-16-15-17-12(4)9-14(18-15)19(11(2)3)10-13-7-6-8-20-13/h6-9,11H,5,10H2,1-4H3,(H,16,17,18)
InChIKeyOTVUCYDZBRBGDY-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.69
Rot. Bonds6

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

2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80808333) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80808333
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(N(Cc2cccs2)C(C)C)n1
InChIInChI=1S/C15H22N4S/c1-5-16-15-17-12(4)9-14(18-15)19(11(2)3)10-13-7-6-8-20-13/h6-9,11H,5,10H2,1-4H3,(H,16,17,18)
InChIKeyOTVUCYDZBRBGDY-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849189
2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80775316
2-N,4-N,6-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80850116
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile
CID 80811463
2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80798994
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907957
4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 61451157
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809772
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
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919288

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (CID 80808333) is 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is CCNc1nc(C)cc(N(Cc2cccs2)C(C)C)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is OTVUCYDZBRBGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-16-15-17-12(4)9-14(18-15)19(11(2)3)10-13-7-6-8-20-13/h6-9,11H,5,10H2,1-4H3,(H,16,17,18).
What are the key properties of 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80808333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).