2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine

C17H30N4 — CID 80658081

IUPAC2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C17H30N4/c1-6-18-15-11-13(2)19-16(20-15)12-21-9-7-14(8-10-21)17(3,4)5/h11,14H,6-10,12H2,1-5H3,(H,18,19,20)
InChIKeyPXSQGHSZQDGTBG-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.47
Rot. Bonds4

About 2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine

2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 80658081) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID80658081
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C17H30N4/c1-6-18-15-11-13(2)19-16(20-15)12-21-9-7-14(8-10-21)17(3,4)5/h11,14H,6-10,12H2,1-5H3,(H,18,19,20)
InChIKeyPXSQGHSZQDGTBG-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 103502321
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-3-methylpiperidin-4-ol
CID 114681757
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657151
N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 103538592
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673886
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657810
N-ethyl-6-methyl-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidin-4-amine
CID 102745668
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
N-ethyl-6-methyl-2-[(2-propylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 83061990
1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one
CID 80654202
[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol
CID 80657903
6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
CID 80657990

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine (CID 80658081) is 2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(CN2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is PXSQGHSZQDGTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-18-15-11-13(2)19-16(20-15)12-21-9-7-14(8-10-21)17(3,4)5/h11,14H,6-10,12H2,1-5H3,(H,18,19,20).
What are the key properties of 2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80658081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).