N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine

C13H22N4O — CID 55113870

IUPACN-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCCNCc1c(C)nc(N2CCOCC2)nc1C
InChIInChI=1S/C13H22N4O/c1-4-14-9-12-10(2)15-13(16-11(12)3)17-5-7-18-8-6-17/h14H,4-9H2,1-3H3
InChIKeyHHGGUVUSOIHPAR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.04
Rot. Bonds4

About N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine

N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 55113870) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
PubChem CID55113870
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCCNCc1c(C)nc(N2CCOCC2)nc1C
InChIInChI=1S/C13H22N4O/c1-4-14-9-12-10(2)15-13(16-11(12)3)17-5-7-18-8-6-17/h14H,4-9H2,1-3H3
InChIKeyHHGGUVUSOIHPAR-UHFFFAOYSA-N
XLogP1.04
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine (CID 55113870) is N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine is CCNCc1c(C)nc(N2CCOCC2)nc1C.
What is the InChIKey of N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is HHGGUVUSOIHPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-9-12-10(2)15-13(16-11(12)3)17-5-7-18-8-6-17/h14H,4-9H2,1-3H3.
What are the key properties of N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 250.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 55113870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).