4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine

C12H20N4O3 — CID 124575984

IUPAC4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC[C@H]2CN(C)CCO2)n1
InChIInChI=1S/C12H20N4O3/c1-16-4-5-19-9(8-16)7-13-12-14-10(17-2)6-11(15-12)18-3/h6,9H,4-5,7-8H2,1-3H3,(H,13,14,15)/t9-/m0/s1
InChIKeyRJBOYSFFIXPKAE-VIFPVBQESA-N
MW268.32 g/mol
LogP0.24
Rot. Bonds5

About 4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine

4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 124575984) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
PubChem CID124575984
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC[C@H]2CN(C)CCO2)n1
InChIInChI=1S/C12H20N4O3/c1-16-4-5-19-9(8-16)7-13-12-14-10(17-2)6-11(15-12)18-3/h6,9H,4-5,7-8H2,1-3H3,(H,13,14,15)/t9-/m0/s1
InChIKeyRJBOYSFFIXPKAE-VIFPVBQESA-N
XLogP0.24
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine (CID 124575984) is 4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine is COc1cc(OC)nc(NC[C@H]2CN(C)CCO2)n1.
What is the InChIKey of 4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is RJBOYSFFIXPKAE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N4O3/c1-16-4-5-19-9(8-16)7-13-12-14-10(17-2)6-11(15-12)18-3/h6,9H,4-5,7-8H2,1-3H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of 4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 124575984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).