4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one

C13H23N3O2 — CID 136701818

IUPAC4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCCCC(CC)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C13H23N3O2/c1-4-6-7-10(5-2)8-14-12-11(18-3)13(17)16-9-15-12/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeySIIYXEKCRCVWEC-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.41
Rot. Bonds8

About 4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one

4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136701818) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136701818
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCCCCC(CC)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C13H23N3O2/c1-4-6-7-10(5-2)8-14-12-11(18-3)13(17)16-9-15-12/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeySIIYXEKCRCVWEC-UHFFFAOYSA-N
XLogP2.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137008774
6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
CID 107817622
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137011790
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864256
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136999749
5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine
CID 107816615
methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate
CID 107817832
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136989486

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136701818) is 4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one is CCCCC(CC)CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is SIIYXEKCRCVWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-6-7-10(5-2)8-14-12-11(18-3)13(17)16-9-15-12/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136701818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).