N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine

C11H18N4O2 — CID 114170144

IUPACN-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2(CN)CCOCC2)ncn1
InChIInChI=1S/C11H18N4O2/c1-16-10-6-9(13-8-14-10)15-11(7-12)2-4-17-5-3-11/h6,8H,2-5,7,12H2,1H3,(H,13,14,15)
InChIKeyLASJJZLGXWEGHL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.41
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine

N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine (PubChem CID 114170144) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine
PubChem CID114170144
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2(CN)CCOCC2)ncn1
InChIInChI=1S/C11H18N4O2/c1-16-10-6-9(13-8-14-10)15-11(7-12)2-4-17-5-3-11/h6,8H,2-5,7,12H2,1H3,(H,13,14,15)
InChIKeyLASJJZLGXWEGHL-UHFFFAOYSA-N
XLogP0.41
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine (CID 114170144) is N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine is COc1cc(NC2(CN)CCOCC2)ncn1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is LASJJZLGXWEGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-16-10-6-9(13-8-14-10)15-11(7-12)2-4-17-5-3-11/h6,8H,2-5,7,12H2,1H3,(H,13,14,15).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine?
N-[4-(aminomethyl)oxan-4-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 238.29 g/mol, XLogP of 0.41, 4 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-methoxypyrimidin-4-amine is sourced from PubChem (CID 114170144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).