2-(10-methylundecyl)pyrimidin-4-amine

C16H29N3 — CID 58722363

IUPAC2-(10-methylundecyl)pyrimidin-4-amine
SMILESCC(C)CCCCCCCCCc1nccc(N)n1
InChIInChI=1S/C16H29N3/c1-14(2)10-8-6-4-3-5-7-9-11-16-18-13-12-15(17)19-16/h12-14H,3-11H2,1-2H3,(H2,17,18,19)
InChIKeyQZMGRYIBNKXTRA-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.38
Rot. Bonds10

About 2-(10-methylundecyl)pyrimidin-4-amine

2-(10-methylundecyl)pyrimidin-4-amine (PubChem CID 58722363) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(10-methylundecyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(10-methylundecyl)pyrimidin-4-amine
PubChem CID58722363
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-(10-methylundecyl)pyrimidin-4-amine
SMILESCC(C)CCCCCCCCCc1nccc(N)n1
InChIInChI=1S/C16H29N3/c1-14(2)10-8-6-4-3-5-7-9-11-16-18-13-12-15(17)19-16/h12-14H,3-11H2,1-2H3,(H2,17,18,19)
InChIKeyQZMGRYIBNKXTRA-UHFFFAOYSA-N
XLogP4.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of 2-(10-methylundecyl)pyrimidin-4-amine?
The IUPAC name of 2-(10-methylundecyl)pyrimidin-4-amine (CID 58722363) is 2-(10-methylundecyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(10-methylundecyl)pyrimidin-4-amine?
The canonical SMILES for 2-(10-methylundecyl)pyrimidin-4-amine is CC(C)CCCCCCCCCc1nccc(N)n1.
What is the InChIKey of 2-(10-methylundecyl)pyrimidin-4-amine?
The InChIKey is QZMGRYIBNKXTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-14(2)10-8-6-4-3-5-7-9-11-16-18-13-12-15(17)19-16/h12-14H,3-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-(10-methylundecyl)pyrimidin-4-amine?
2-(10-methylundecyl)pyrimidin-4-amine has a molecular weight of 263.43 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-methylundecyl)pyrimidin-4-amine is sourced from PubChem (CID 58722363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).