4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one

C11H17ClN4O2 — CID 136981696

IUPAC4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
SMILESCC1(C)CN(c2nc[nH]c(=O)c2Cl)CC(CN)O1
InChIInChI=1S/C11H17ClN4O2/c1-11(2)5-16(4-7(3-13)18-11)9-8(12)10(17)15-6-14-9/h6-7H,3-5,13H2,1-2H3,(H,14,15,17)
InChIKeyBNUDVYVFWZHSFS-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.37
Rot. Bonds2

About 4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one

4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136981696) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
PubChem CID136981696
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
SMILESCC1(C)CN(c2nc[nH]c(=O)c2Cl)CC(CN)O1
InChIInChI=1S/C11H17ClN4O2/c1-11(2)5-16(4-7(3-13)18-11)9-8(12)10(17)15-6-14-9/h6-7H,3-5,13H2,1-2H3,(H,14,15,17)
InChIKeyBNUDVYVFWZHSFS-UHFFFAOYSA-N
XLogP0.37
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one (CID 136981696) is 4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one is CC1(C)CN(c2nc[nH]c(=O)c2Cl)CC(CN)O1.
What is the InChIKey of 4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is BNUDVYVFWZHSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-11(2)5-16(4-7(3-13)18-11)9-8(12)10(17)15-6-14-9/h6-7H,3-5,13H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one?
4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 272.74 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136981696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).