5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine

C12H21N3 — CID 63927515

IUPAC5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine
SMILESCC(C)CCC(C)NCc1ncccn1
InChIInChI=1S/C12H21N3/c1-10(2)5-6-11(3)15-9-12-13-7-4-8-14-12/h4,7-8,10-11,15H,5-6,9H2,1-3H3
InChIKeyAXUPBUMDPUUIQV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.39
Rot. Bonds6

About 5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine

5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine (PubChem CID 63927515) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine
PubChem CID63927515
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine
SMILESCC(C)CCC(C)NCc1ncccn1
InChIInChI=1S/C12H21N3/c1-10(2)5-6-11(3)15-9-12-13-7-4-8-14-12/h4,7-8,10-11,15H,5-6,9H2,1-3H3
InChIKeyAXUPBUMDPUUIQV-UHFFFAOYSA-N
XLogP2.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrimidin-2-ylmethyl)hexan-2-amine
CID 62700861
2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553095
1-bromo-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 107859566
4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine
CID 62699736
N-benzyl-5-methylhexan-2-amine
CID 43177530
1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553098
5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
CID 78942763
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507
5-methyl-N-[(5-methyl-2-pyridinyl)methyl]hexan-2-amine
CID 80708442
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553103

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine?
The IUPAC name of 5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine (CID 63927515) is 5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine?
The canonical SMILES for 5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine is CC(C)CCC(C)NCc1ncccn1.
What is the InChIKey of 5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine?
The InChIKey is AXUPBUMDPUUIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)5-6-11(3)15-9-12-13-7-4-8-14-12/h4,7-8,10-11,15H,5-6,9H2,1-3H3.
What are the key properties of 5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine?
5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine is sourced from PubChem (CID 63927515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).