N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine

C13H22N4O2 — CID 106298125

IUPACN-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NC2(CN)CCOCC2)nc(C)n1
InChIInChI=1S/C13H22N4O2/c1-3-19-12-8-11(15-10(2)16-12)17-13(9-14)4-6-18-7-5-13/h8H,3-7,9,14H2,1-2H3,(H,15,16,17)
InChIKeyAIBMEZTVXZUKKX-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.10
Rot. Bonds5

About N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine

N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine (PubChem CID 106298125) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine
PubChem CID106298125
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NC2(CN)CCOCC2)nc(C)n1
InChIInChI=1S/C13H22N4O2/c1-3-19-12-8-11(15-10(2)16-12)17-13(9-14)4-6-18-7-5-13/h8H,3-7,9,14H2,1-2H3,(H,15,16,17)
InChIKeyAIBMEZTVXZUKKX-UHFFFAOYSA-N
XLogP1.10
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine
CID 114170144
[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300524
[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170393
[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol
CID 106300257
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66333915
N-[4-(aminomethyl)oxan-4-yl]-6-propan-2-ylpyrimidin-4-amine
CID 114170114
[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160328
6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66327746
N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine
CID 106298032
N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine
CID 106298394
6-(2-aminoethoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 121206106
6-ethoxy-2-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66326709

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine (CID 106298125) is N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine is CCOc1cc(NC2(CN)CCOCC2)nc(C)n1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine?
The InChIKey is AIBMEZTVXZUKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-19-12-8-11(15-10(2)16-12)17-13(9-14)4-6-18-7-5-13/h8H,3-7,9,14H2,1-2H3,(H,15,16,17).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine?
N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine has a molecular weight of 266.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 106298125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).