2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine

C16H23N3S — CID 102838645

IUPAC2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(-c2ccsc2C)c1C
InChIInChI=1S/C16H23N3S/c1-7-17-14-10(2)13(12-8-9-20-11(12)3)18-15(19-14)16(4,5)6/h8-9H,7H2,1-6H3,(H,17,18,19)
InChIKeyJUBGOEUWKQWCKS-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.55
Rot. Bonds3

About 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine

2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine (PubChem CID 102838645) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine
PubChem CID102838645
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(-c2ccsc2C)c1C
InChIInChI=1S/C16H23N3S/c1-7-17-14-10(2)13(12-8-9-20-11(12)3)18-15(19-14)16(4,5)6/h8-9H,7H2,1-6H3,(H,17,18,19)
InChIKeyJUBGOEUWKQWCKS-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838647
N-ethyl-4-(2-methylthiophen-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 102838373
N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 102838545
N-ethyl-6-(2-methylthiophen-3-yl)pyrazin-2-amine
CID 102838556
2-tert-butyl-6-N,5-dimethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80992792
5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one
CID 136955760
4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 102838564
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964
2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80977836
4-N-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992230
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
CID 107785070

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine (CID 102838645) is 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine is CCNc1nc(C(C)(C)C)nc(-c2ccsc2C)c1C.
What is the InChIKey of 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine?
The InChIKey is JUBGOEUWKQWCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-7-17-14-10(2)13(12-8-9-20-11(12)3)18-15(19-14)16(4,5)6/h8-9H,7H2,1-6H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine?
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine has a molecular weight of 289.45 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 102838645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).