4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

C15H22N4S — CID 80933060

IUPAC4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)Cc2cccs2)nc(CC)n1
InChIInChI=1S/C15H22N4S/c1-4-13-17-14(16-5-2)10-15(18-13)19(6-3)11-12-8-7-9-20-12/h7-10H,4-6,11H2,1-3H3,(H,16,17,18)
InChIKeyAMEZIRNNYAYOSO-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.56
Rot. Bonds7

About 4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80933060) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80933060
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)Cc2cccs2)nc(CC)n1
InChIInChI=1S/C15H22N4S/c1-4-13-17-14(16-5-2)10-15(18-13)19(6-3)11-12-8-7-9-20-12/h7-10H,4-6,11H2,1-3H3,(H,16,17,18)
InChIKeyAMEZIRNNYAYOSO-UHFFFAOYSA-N
XLogP3.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,2-diethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934269
2-N,6-N-diethyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 80798911
6-chloro-N-ethyl-2-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80938995
2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80798994
6-N-ethyl-2-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80955053
1-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80942101
6-chloro-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799671
2-ethyl-6-N-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80934183
3-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80934943
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967419
2-ethyl-6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933272
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

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80933060) is 4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is CCNc1cc(N(CC)Cc2cccs2)nc(CC)n1.
What is the InChIKey of 4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is AMEZIRNNYAYOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-13-17-14(16-5-2)10-15(18-13)19(6-3)11-12-8-7-9-20-12/h7-10H,4-6,11H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).