[(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone

C14H20ClN5O2 — CID 51983130

IUPAC[(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESNc1nc(Cl)cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C14H20ClN5O2/c15-11-8-12(18-14(16)17-11)20-3-1-2-10(9-20)13(21)19-4-6-22-7-5-19/h8,10H,1-7,9H2,(H2,16,17,18)/t10-/m0/s1
InChIKeyCHYQOELFWPHMPX-JTQLQIEISA-N
MW325.80 g/mol
LogP0.79
Rot. Bonds2

About [(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone

[(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 51983130) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is [(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID51983130
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name[(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESNc1nc(Cl)cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C14H20ClN5O2/c15-11-8-12(18-14(16)17-11)20-3-1-2-10(9-20)13(21)19-4-6-22-7-5-19/h8,10H,1-7,9H2,(H2,16,17,18)/t10-/m0/s1
InChIKeyCHYQOELFWPHMPX-JTQLQIEISA-N
XLogP0.79
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 51983130) is [(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone is Nc1nc(Cl)cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)n1.
What is the InChIKey of [(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CHYQOELFWPHMPX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20ClN5O2/c15-11-8-12(18-14(16)17-11)20-3-1-2-10(9-20)13(21)19-4-6-22-7-5-19/h8,10H,1-7,9H2,(H2,16,17,18)/t10-/m0/s1.
What are the key properties of [(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
[(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 325.80 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51983130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).