2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine

C17H30N4 — CID 80987881

IUPAC2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(N2CCCC2C)c1C
InChIInChI=1S/C17H30N4/c1-7-10-18-14-13(3)15(21-11-8-9-12(21)2)20-16(19-14)17(4,5)6/h12H,7-11H2,1-6H3,(H,18,19,20)
InChIKeyMBXWIXDBHBXNNX-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.89
Rot. Bonds4

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

2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine (PubChem CID 80987881) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
PubChem CID80987881
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(N2CCCC2C)c1C
InChIInChI=1S/C17H30N4/c1-7-10-18-14-13(3)15(21-11-8-9-12(21)2)20-16(19-14)17(4,5)6/h12H,7-11H2,1-6H3,(H,18,19,20)
InChIKeyMBXWIXDBHBXNNX-UHFFFAOYSA-N
XLogP3.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-(2-methylpiperidin-1-yl)-N-propylpyrimidin-4-amine
CID 80766852
[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80994714
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80986307
[1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80995818
2-cyclopropyl-5-methyl-6-(3-methylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80986418
6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80987495
2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80992555
2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80836387
2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
CID 80982152
2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80987650
1-(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 81000899
2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80993569

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine (CID 80987881) is 2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)(C)C)nc(N2CCCC2C)c1C.
What is the InChIKey of 2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
The InChIKey is MBXWIXDBHBXNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-7-10-18-14-13(3)15(21-11-8-9-12(21)2)20-16(19-14)17(4,5)6/h12H,7-11H2,1-6H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80987881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).