2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine

C15H26N4O2S — CID 95847727

IUPAC2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine
SMILESCc1nc(NCC[S@](C)=O)cc([C@H]2CN(C(C)C)CCO2)n1
InChIInChI=1S/C15H26N4O2S/c1-11(2)19-6-7-21-14(10-19)13-9-15(18-12(3)17-13)16-5-8-22(4)20/h9,11,14H,5-8,10H2,1-4H3,(H,16,17,18)/t14-,22+/m1/s1
InChIKeyPRAFRQOIYXTXTC-PEBXRYMYSA-N
MW326.47 g/mol
LogP1.36
Rot. Bonds6

About 2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine

2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine (PubChem CID 95847727) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine
PubChem CID95847727
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine
SMILESCc1nc(NCC[S@](C)=O)cc([C@H]2CN(C(C)C)CCO2)n1
InChIInChI=1S/C15H26N4O2S/c1-11(2)19-6-7-21-14(10-19)13-9-15(18-12(3)17-13)16-5-8-22(4)20/h9,11,14H,5-8,10H2,1-4H3,(H,16,17,18)/t14-,22+/m1/s1
InChIKeyPRAFRQOIYXTXTC-PEBXRYMYSA-N
XLogP1.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine (CID 95847727) is 2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine is Cc1nc(NCC[S@](C)=O)cc([C@H]2CN(C(C)C)CCO2)n1.
What is the InChIKey of 2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine?
The InChIKey is PRAFRQOIYXTXTC-PEBXRYMYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-11(2)19-6-7-21-14(10-19)13-9-15(18-12(3)17-13)16-5-8-22(4)20/h9,11,14H,5-8,10H2,1-4H3,(H,16,17,18)/t14-,22+/m1/s1.
What are the key properties of 2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine?
2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine has a molecular weight of 326.47 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(S)-methylsulfinyl]ethyl]-6-[(2R)-4-propan-2-ylmorpholin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 95847727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).