4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine

C19H34N2O2 — CID 166688598

IUPAC4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine
SMILESCCCCCCC[C@@H](CCCCC)c1c(OC)ncnc1OC
InChIInChI=1S/C19H34N2O2/c1-5-7-9-10-12-14-16(13-11-8-6-2)17-18(22-3)20-15-21-19(17)23-4/h15-16H,5-14H2,1-4H3/t16-/m1/s1
InChIKeyKMPAPBRDSFTNJE-MRXNPFEDSA-N
MW322.49 g/mol
LogP5.52
Rot. Bonds13

About 4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine

4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine (PubChem CID 166688598) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine
PubChem CID166688598
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine
SMILESCCCCCCC[C@@H](CCCCC)c1c(OC)ncnc1OC
InChIInChI=1S/C19H34N2O2/c1-5-7-9-10-12-14-16(13-11-8-6-2)17-18(22-3)20-15-21-19(17)23-4/h15-16H,5-14H2,1-4H3/t16-/m1/s1
InChIKeyKMPAPBRDSFTNJE-MRXNPFEDSA-N
XLogP5.52
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-tridecan-7-ylpyrimidine
CID 166765750
1-(3-methoxypyrazin-2-yl)decan-1-amine
CID 105032041
2-hexadecan-8-yl-5-methoxypyrazine
CID 146209208
1-(2-methoxy-3-pyridinyl)octan-1-amine
CID 105124612
5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine
CID 146377305
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine
CID 105032040
5-pentadecan-8-yl-1,2,4-thiadiazole
CID 129212992
4-chloro-5-methyl-6-octan-2-yloxypyrimidine
CID 55231392
1-(3-methoxypyrazin-2-yl)nonylhydrazine
CID 105332689
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
2-undecan-5-ylbenzene-1,3-diol
CID 67418377

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine?
The IUPAC name of 4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine (CID 166688598) is 4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine is CCCCCCC[C@@H](CCCCC)c1c(OC)ncnc1OC.
What is the InChIKey of 4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine?
The InChIKey is KMPAPBRDSFTNJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-5-7-9-10-12-14-16(13-11-8-6-2)17-18(22-3)20-15-21-19(17)23-4/h15-16H,5-14H2,1-4H3/t16-/m1/s1.
What are the key properties of 4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine?
4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine has a molecular weight of 322.49 g/mol, XLogP of 5.52, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine is sourced from PubChem (CID 166688598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).