2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine

C14H26N4O — CID 80657862

IUPAC2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine
SMILESCCC(CC)N(CCOC)Cc1nc(C)cc(N)n1
InChIInChI=1S/C14H26N4O/c1-5-12(6-2)18(7-8-19-4)10-14-16-11(3)9-13(15)17-14/h9,12H,5-8,10H2,1-4H3,(H2,15,16,17)
InChIKeyHWGONFIHOHCRHI-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.00
Rot. Bonds8

About 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine

2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine (PubChem CID 80657862) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine
PubChem CID80657862
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine
SMILESCCC(CC)N(CCOC)Cc1nc(C)cc(N)n1
InChIInChI=1S/C14H26N4O/c1-5-12(6-2)18(7-8-19-4)10-14-16-11(3)9-13(15)17-14/h9,12H,5-8,10H2,1-4H3,(H2,15,16,17)
InChIKeyHWGONFIHOHCRHI-UHFFFAOYSA-N
XLogP2.00
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine (CID 80657862) is 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine is CCC(CC)N(CCOC)Cc1nc(C)cc(N)n1.
What is the InChIKey of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine?
The InChIKey is HWGONFIHOHCRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-12(6-2)18(7-8-19-4)10-14-16-11(3)9-13(15)17-14/h9,12H,5-8,10H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine?
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine has a molecular weight of 266.39 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80657862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).