(3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine

C16H21N5O2 — CID 46882149

IUPAC(3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOCC2)c2cccnc2n1
InChIInChI=1S/C16H21N5O2/c1-12-11-23-10-7-21(12)16-18-14-13(3-2-4-17-14)15(19-16)20-5-8-22-9-6-20/h2-4,12H,5-11H2,1H3/t12-/m0/s1
InChIKeyBYNVTKGXXRRGSJ-LBPRGKRZSA-N
MW315.38 g/mol
LogP1.09
Rot. Bonds2

About (3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine

(3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine (PubChem CID 46882149) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine
PubChem CID46882149
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOCC2)c2cccnc2n1
InChIInChI=1S/C16H21N5O2/c1-12-11-23-10-7-21(12)16-18-14-13(3-2-4-17-14)15(19-16)20-5-8-22-9-6-20/h2-4,12H,5-11H2,1H3/t12-/m0/s1
InChIKeyBYNVTKGXXRRGSJ-LBPRGKRZSA-N
XLogP1.09
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine?
The IUPAC name of (3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine (CID 46882149) is (3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine.
What is the SMILES notation for (3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine?
The canonical SMILES for (3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine is C[C@H]1COCCN1c1nc(N2CCOCC2)c2cccnc2n1.
What is the InChIKey of (3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine?
The InChIKey is BYNVTKGXXRRGSJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-11-23-10-7-21(12)16-18-14-13(3-2-4-17-14)15(19-16)20-5-8-22-9-6-20/h2-4,12H,5-11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine?
(3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine has a molecular weight of 315.38 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)morpholine is sourced from PubChem (CID 46882149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).