2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine

C17H30N4 — CID 80984976

IUPAC2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCCC1CCN(c2nc(C(C)(C)C)nc(N)c2C)CC1
InChIInChI=1S/C17H30N4/c1-6-7-13-8-10-21(11-9-13)15-12(2)14(18)19-16(20-15)17(3,4)5/h13H,6-11H2,1-5H3,(H2,18,19,20)
InChIKeyAQGXOKDQLVHULR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.68
Rot. Bonds3

About 2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine

2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 80984976) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID80984976
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCCC1CCN(c2nc(C(C)(C)C)nc(N)c2C)CC1
InChIInChI=1S/C17H30N4/c1-6-7-13-8-10-21(11-9-13)15-12(2)14(18)19-16(20-15)17(3,4)5/h13H,6-11H2,1-5H3,(H2,18,19,20)
InChIKeyAQGXOKDQLVHULR-UHFFFAOYSA-N
XLogP3.68
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629493
[2-tert-butyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80995529
3-(4-propylpiperidin-1-yl)quinoxalin-2-amine
CID 102986310
2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541823
2-tert-butyl-6-(3,4-dimethylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80983989
[1-(6-amino-5-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80977068
3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine
CID 114074421
2-tert-butyl-4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyrimidine
CID 80968205
2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80983873
2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80970942
5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
CID 143714152
4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
CID 79478769

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine (CID 80984976) is 2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine is CCCC1CCN(c2nc(C(C)(C)C)nc(N)c2C)CC1.
What is the InChIKey of 2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is AQGXOKDQLVHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-7-13-8-10-21(11-9-13)15-12(2)14(18)19-16(20-15)17(3,4)5/h13H,6-11H2,1-5H3,(H2,18,19,20).
What are the key properties of 2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine?
2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.68, 3 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-(4-propylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80984976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).