4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine

C13H19ClN4O2 — CID 99609076

IUPAC4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine
SMILESCNc1c(Cl)ncnc1N1CCO[C@@H]([C@@H]2CCCO2)C1
InChIInChI=1S/C13H19ClN4O2/c1-15-11-12(14)16-8-17-13(11)18-4-6-20-10(7-18)9-3-2-5-19-9/h8-10,15H,2-7H2,1H3/t9-,10+/m0/s1
InChIKeyYEAXNEXYAZXOPL-VHSXEESVSA-N
MW298.77 g/mol
LogP1.56
Rot. Bonds3

About 4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine

4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine (PubChem CID 99609076) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine
PubChem CID99609076
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine
SMILESCNc1c(Cl)ncnc1N1CCO[C@@H]([C@@H]2CCCO2)C1
InChIInChI=1S/C13H19ClN4O2/c1-15-11-12(14)16-8-17-13(11)18-4-6-20-10(7-18)9-3-2-5-19-9/h8-10,15H,2-7H2,1H3/t9-,10+/m0/s1
InChIKeyYEAXNEXYAZXOPL-VHSXEESVSA-N
XLogP1.56
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(7-fluoro-6-methoxyquinazolin-4-yl)-2-(oxolan-2-yl)morpholine
CID 133493384
4-chloro-N-methyl-6-[4-(oxan-4-yloxy)piperidin-1-yl]pyrimidin-5-amine
CID 133464624
4-chloro-N-methyl-6-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]pyrimidin-5-amine
CID 133464294
1-[4-[6-chloro-5-(methylamino)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-2-ol
CID 133464451
(2R)-4-(8-methoxyquinolin-4-yl)-2-[(2R)-oxolan-2-yl]morpholine
CID 129437284
4-(8-methylquinolin-4-yl)-2-(oxolan-2-yl)morpholine
CID 133368990
4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine
CID 125138301
(1R,3S)-7-[6-chloro-5-(methylamino)pyrimidin-4-yl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 99638716
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80811776
5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 102971606
6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine
CID 124639362
4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 102963245

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine?
The IUPAC name of 4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine (CID 99609076) is 4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine?
The canonical SMILES for 4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine is CNc1c(Cl)ncnc1N1CCO[C@@H]([C@@H]2CCCO2)C1.
What is the InChIKey of 4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine?
The InChIKey is YEAXNEXYAZXOPL-VHSXEESVSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-15-11-12(14)16-8-17-13(11)18-4-6-20-10(7-18)9-3-2-5-19-9/h8-10,15H,2-7H2,1H3/t9-,10+/m0/s1.
What are the key properties of 4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine?
4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine has a molecular weight of 298.77 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]pyrimidin-5-amine is sourced from PubChem (CID 99609076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).