1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol

C13H21ClN4O2 — CID 71996182

IUPAC1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCc1nc(Cl)cc(NCC(C)(O)CN2CCOCC2)n1
InChIInChI=1S/C13H21ClN4O2/c1-10-16-11(14)7-12(17-10)15-8-13(2,19)9-18-3-5-20-6-4-18/h7,19H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyDNXCOZJSKCXPII-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.93
Rot. Bonds5

About 1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol

1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol (PubChem CID 71996182) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
PubChem CID71996182
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCc1nc(Cl)cc(NCC(C)(O)CN2CCOCC2)n1
InChIInChI=1S/C13H21ClN4O2/c1-10-16-11(14)7-12(17-10)15-8-13(2,19)9-18-3-5-20-6-4-18/h7,19H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyDNXCOZJSKCXPII-UHFFFAOYSA-N
XLogP0.93
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol (CID 71996182) is 1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol is Cc1nc(Cl)cc(NCC(C)(O)CN2CCOCC2)n1.
What is the InChIKey of 1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The InChIKey is DNXCOZJSKCXPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-10-16-11(14)7-12(17-10)15-8-13(2,19)9-18-3-5-20-6-4-18/h7,19H,3-6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol has a molecular weight of 300.79 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 71996182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).