6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine

C17H30N4 — CID 60967444

IUPAC6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCC(C)CN2CCCCC2)nc(C(C)C)n1
InChIInChI=1S/C17H30N4/c1-13(2)17-19-15(4)10-16(20-17)18-11-14(3)12-21-8-6-5-7-9-21/h10,13-14H,5-9,11-12H2,1-4H3,(H,18,19,20)
InChIKeyHFLZXFPPDFIATK-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.44
Rot. Bonds6

About 6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine

6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 60967444) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID60967444
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCC(C)CN2CCCCC2)nc(C(C)C)n1
InChIInChI=1S/C17H30N4/c1-13(2)17-19-15(4)10-16(20-17)18-11-14(3)12-21-8-6-5-7-9-21/h10,13-14H,5-9,11-12H2,1-4H3,(H,18,19,20)
InChIKeyHFLZXFPPDFIATK-UHFFFAOYSA-N
XLogP3.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine (CID 60967444) is 6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NCC(C)CN2CCCCC2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is HFLZXFPPDFIATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-13(2)17-19-15(4)10-16(20-17)18-11-14(3)12-21-8-6-5-7-9-21/h10,13-14H,5-9,11-12H2,1-4H3,(H,18,19,20).
What are the key properties of 6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 60967444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).