N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine

C13H23N3 — CID 133311807

IUPACN-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(C)CCC(C)(C)C)ncn1
InChIInChI=1S/C13H23N3/c1-10(6-7-13(3,4)5)16-12-8-11(2)14-9-15-12/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyPXFKLFJMEABOIZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.41
Rot. Bonds4

About N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine

N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine (PubChem CID 133311807) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine
PubChem CID133311807
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(C)CCC(C)(C)C)ncn1
InChIInChI=1S/C13H23N3/c1-10(6-7-13(3,4)5)16-12-8-11(2)14-9-15-12/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyPXFKLFJMEABOIZ-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
CID 102609023
6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225495
4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine
CID 106357708
6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 61225499
2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol
CID 72937160
1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol
CID 61226295
N-but-3-en-2-yl-6-methylpyrimidin-4-amine
CID 115691966
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
6-methyl-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]pyrimidin-4-amine
CID 99630196
N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 65037496
N-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 63927535
4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 78929734

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine (CID 133311807) is N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine is Cc1cc(NC(C)CCC(C)(C)C)ncn1.
What is the InChIKey of N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine?
The InChIKey is PXFKLFJMEABOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(6-7-13(3,4)5)16-12-8-11(2)14-9-15-12/h8-10H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine?
N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133311807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).