2-heptyl-6-methyl-N-octylpyrimidin-4-amine

C20H37N3 — CID 58693161

IUPAC2-heptyl-6-methyl-N-octylpyrimidin-4-amine
SMILESCCCCCCCCNc1cc(C)nc(CCCCCCC)n1
InChIInChI=1S/C20H37N3/c1-4-6-8-10-12-14-16-21-20-17-18(3)22-19(23-20)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3,(H,21,22,23)
InChIKeyZXDBEKBQKFTVMX-UHFFFAOYSA-N
MW319.54 g/mol
LogP6.07
Rot. Bonds14

About 2-heptyl-6-methyl-N-octylpyrimidin-4-amine

2-heptyl-6-methyl-N-octylpyrimidin-4-amine (PubChem CID 58693161) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is 2-heptyl-6-methyl-N-octylpyrimidin-4-amine.

Molecular Properties

Compound Name2-heptyl-6-methyl-N-octylpyrimidin-4-amine
PubChem CID58693161
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Name2-heptyl-6-methyl-N-octylpyrimidin-4-amine
SMILESCCCCCCCCNc1cc(C)nc(CCCCCCC)n1
InChIInChI=1S/C20H37N3/c1-4-6-8-10-12-14-16-21-20-17-18(3)22-19(23-20)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3,(H,21,22,23)
InChIKeyZXDBEKBQKFTVMX-UHFFFAOYSA-N
XLogP6.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.54
LogP ≤ 56.07
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

4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
N-hexyl-4,6-dimethylpyridin-2-amine
CID 22105749
N-decyl-4,6-dimethylpyridin-2-amine
CID 151938350
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
2-N-cyclopropyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112907595
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
2,6-dimethyl-N-pentadecylpyridin-4-amine
CID 173439602

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-6-methyl-N-octylpyrimidin-4-amine?
The IUPAC name of 2-heptyl-6-methyl-N-octylpyrimidin-4-amine (CID 58693161) is 2-heptyl-6-methyl-N-octylpyrimidin-4-amine.
What is the SMILES notation for 2-heptyl-6-methyl-N-octylpyrimidin-4-amine?
The canonical SMILES for 2-heptyl-6-methyl-N-octylpyrimidin-4-amine is CCCCCCCCNc1cc(C)nc(CCCCCCC)n1.
What is the InChIKey of 2-heptyl-6-methyl-N-octylpyrimidin-4-amine?
The InChIKey is ZXDBEKBQKFTVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3/c1-4-6-8-10-12-14-16-21-20-17-18(3)22-19(23-20)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3,(H,21,22,23).
What are the key properties of 2-heptyl-6-methyl-N-octylpyrimidin-4-amine?
2-heptyl-6-methyl-N-octylpyrimidin-4-amine has a molecular weight of 319.54 g/mol, XLogP of 6.07, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-6-methyl-N-octylpyrimidin-4-amine is sourced from PubChem (CID 58693161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).