N-(3-methyldecan-3-yl)pyrimidin-2-amine

C15H27N3 — CID 155123282

IUPACN-(3-methyldecan-3-yl)pyrimidin-2-amine
SMILESCCCCCCCC(C)(CC)Nc1ncccn1
InChIInChI=1S/C15H27N3/c1-4-6-7-8-9-11-15(3,5-2)18-14-16-12-10-13-17-14/h10,12-13H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyVAPWFHCRESBMOS-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.42
Rot. Bonds9

About N-(3-methyldecan-3-yl)pyrimidin-2-amine

N-(3-methyldecan-3-yl)pyrimidin-2-amine (PubChem CID 155123282) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(3-methyldecan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methyldecan-3-yl)pyrimidin-2-amine
PubChem CID155123282
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-(3-methyldecan-3-yl)pyrimidin-2-amine
SMILESCCCCCCCC(C)(CC)Nc1ncccn1
InChIInChI=1S/C15H27N3/c1-4-6-7-8-9-11-15(3,5-2)18-14-16-12-10-13-17-14/h10,12-13H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyVAPWFHCRESBMOS-UHFFFAOYSA-N
XLogP4.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyloctan-3-yl)pyridin-4-amine
CID 134415197
N-pentylsulfanylpyrimidin-2-amine
CID 88614078
N-(4-methyldecan-4-yl)aniline
CID 166741267
2-N-[(Z)-ethylideneamino]-2-N-methyl-4-N,6-N-bis(3-methyloctan-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 145163543
N-butylpyrimidin-2-amine;molecular hydrogen
CID 142213040
N-(1-chloro-3-methylpentan-3-yl)-5-methylpyrimidin-2-amine
CID 106167874
2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
CID 107866127
N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329310
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldodecane
CID 56619966
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820

Frequently Asked Questions

What is the IUPAC name of N-(3-methyldecan-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-methyldecan-3-yl)pyrimidin-2-amine (CID 155123282) is N-(3-methyldecan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methyldecan-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methyldecan-3-yl)pyrimidin-2-amine is CCCCCCCC(C)(CC)Nc1ncccn1.
What is the InChIKey of N-(3-methyldecan-3-yl)pyrimidin-2-amine?
The InChIKey is VAPWFHCRESBMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-6-7-8-9-11-15(3,5-2)18-14-16-12-10-13-17-14/h10,12-13H,4-9,11H2,1-3H3,(H,16,17,18).
What are the key properties of N-(3-methyldecan-3-yl)pyrimidin-2-amine?
N-(3-methyldecan-3-yl)pyrimidin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyldecan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 155123282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).