2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine

C16H28N4 — CID 80967538

IUPAC2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCC(C)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N4/c1-6-8-17-13-10-14(20-9-7-12(2)11-20)19-15(18-13)16(3,4)5/h10,12H,6-9,11H2,1-5H3,(H,17,18,19)
InChIKeyVANIKUWBDVIDNE-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.44
Rot. Bonds4

About 2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine

2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine (PubChem CID 80967538) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
PubChem CID80967538
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCC(C)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N4/c1-6-8-17-13-10-14(20-9-7-12(2)11-20)19-15(18-13)16(3,4)5/h10,12H,6-9,11H2,1-5H3,(H,17,18,19)
InChIKeyVANIKUWBDVIDNE-UHFFFAOYSA-N
XLogP3.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957698
2-tert-butyl-N-ethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80956511
[1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 106772775
1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 106770296
2-tert-butyl-6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
CID 80959965
N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80933054
1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106773424
6-(3-methylpiperidin-1-yl)-N-propylpyridin-2-amine
CID 80764364
2-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80956623
[1-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629494
1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102971936
6-(4-methylpiperazin-1-yl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770258

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine (CID 80967538) is 2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCC(C)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
The InChIKey is VANIKUWBDVIDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-8-17-13-10-14(20-9-7-12(2)11-20)19-15(18-13)16(3,4)5/h10,12H,6-9,11H2,1-5H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80967538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).