2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine

C16H28N4 — CID 80986307

IUPAC2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(N2CCC(C)C2)c1C
InChIInChI=1S/C16H28N4/c1-7-17-13-12(3)14(20-9-8-11(2)10-20)19-15(18-13)16(4,5)6/h11H,7-10H2,1-6H3,(H,17,18,19)
InChIKeyRBPHDJPSNFGPBK-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.36
Rot. Bonds3

About 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine

2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 80986307) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID80986307
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(N2CCC(C)C2)c1C
InChIInChI=1S/C16H28N4/c1-7-17-13-12(3)14(20-9-8-11(2)10-20)19-15(18-13)16(4,5)6/h11H,7-10H2,1-6H3,(H,17,18,19)
InChIKeyRBPHDJPSNFGPBK-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80987495
N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80980822
[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80995529
2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80987881
2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80970942
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629574
1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683955
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine
CID 114542031
2-tert-butyl-N-ethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80956511
1-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683989
1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol
CID 80764591
2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80967538

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine (CID 80986307) is 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine is CCNc1nc(C(C)(C)C)nc(N2CCC(C)C2)c1C.
What is the InChIKey of 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is RBPHDJPSNFGPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-7-17-13-12(3)14(20-9-8-11(2)10-20)19-15(18-13)16(4,5)6/h11H,7-10H2,1-6H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine?
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.36, 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-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80986307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).