2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine

C16H24N4S — CID 80958954

IUPAC2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2sccc2C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H24N4S/c1-6-17-13-9-14(20-15(19-13)16(3,4)5)18-10-12-11(2)7-8-21-12/h7-9H,6,10H2,1-5H3,(H2,17,18,19,20)
InChIKeyBCNIHKIHXMEYQE-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.19
Rot. Bonds5

About 2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine

2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80958954) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80958954
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2sccc2C)nc(C(C)(C)C)n1
InChIInChI=1S/C16H24N4S/c1-6-17-13-9-14(20-15(19-13)16(3,4)5)18-10-12-11(2)7-8-21-12/h7-9H,6,10H2,1-5H3,(H2,17,18,19,20)
InChIKeyBCNIHKIHXMEYQE-UHFFFAOYSA-N
XLogP4.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-N,5-dimethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80992792
2-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80941605
2-cyclopropyl-6-N-methyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958956
2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80960726
2-N-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565486
2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80969118
2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80958191
6-chloro-2-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80545855
6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771943
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80992880
5-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112730229

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine (CID 80958954) is 2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine is CCNc1cc(NCc2sccc2C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is BCNIHKIHXMEYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-6-17-13-9-14(20-15(19-13)16(3,4)5)18-10-12-11(2)7-8-21-12/h7-9H,6,10H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine?
2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80958954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).