2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine

C15H25N3O3 — CID 164642535

IUPAC2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(N[C@@H](COC)C2CCOCC2)n1
InChIInChI=1S/C15H25N3O3/c1-11-8-14(18-15(16-11)10-20-3)17-13(9-19-2)12-4-6-21-7-5-12/h8,12-13H,4-7,9-10H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyRRTSWRWTBHMANM-ZDUSSCGKSA-N
MW295.38 g/mol
LogP1.78
Rot. Bonds7

About 2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine

2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine (PubChem CID 164642535) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine
PubChem CID164642535
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(N[C@@H](COC)C2CCOCC2)n1
InChIInChI=1S/C15H25N3O3/c1-11-8-14(18-15(16-11)10-20-3)17-13(9-19-2)12-4-6-21-7-5-12/h8,12-13H,4-7,9-10H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyRRTSWRWTBHMANM-ZDUSSCGKSA-N
XLogP1.78
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine (CID 164642535) is 2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine is COCc1nc(C)cc(N[C@@H](COC)C2CCOCC2)n1.
What is the InChIKey of 2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine?
The InChIKey is RRTSWRWTBHMANM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11-8-14(18-15(16-11)10-20-3)17-13(9-19-2)12-4-6-21-7-5-12/h8,12-13H,4-7,9-10H2,1-3H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of 2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine?
2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine has a molecular weight of 295.38 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(1R)-2-methoxy-1-(oxan-4-yl)ethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 164642535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).