(2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol

C11H20N4O3 — CID 95125456

IUPAC(2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol
SMILESCC(C)Oc1cc(N(C)C[C@H](O)CO)nc(N)n1
InChIInChI=1S/C11H20N4O3/c1-7(2)18-10-4-9(13-11(12)14-10)15(3)5-8(17)6-16/h4,7-8,16-17H,5-6H2,1-3H3,(H2,12,13,14)/t8-/m0/s1
InChIKeyFYLCPINPPXVQGC-QMMMGPOBSA-N
MW256.31 g/mol
LogP-0.36
Rot. Bonds6

About (2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol

(2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol (PubChem CID 95125456) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is (2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol
PubChem CID95125456
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name(2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol
SMILESCC(C)Oc1cc(N(C)C[C@H](O)CO)nc(N)n1
InChIInChI=1S/C11H20N4O3/c1-7(2)18-10-4-9(13-11(12)14-10)15(3)5-8(17)6-16/h4,7-8,16-17H,5-6H2,1-3H3,(H2,12,13,14)/t8-/m0/s1
InChIKeyFYLCPINPPXVQGC-QMMMGPOBSA-N
XLogP-0.36
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol?
The IUPAC name of (2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol (CID 95125456) is (2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol is CC(C)Oc1cc(N(C)C[C@H](O)CO)nc(N)n1.
What is the InChIKey of (2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol?
The InChIKey is FYLCPINPPXVQGC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-7(2)18-10-4-9(13-11(12)14-10)15(3)5-8(17)6-16/h4,7-8,16-17H,5-6H2,1-3H3,(H2,12,13,14)/t8-/m0/s1.
What are the key properties of (2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol?
(2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol has a molecular weight of 256.31 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol is sourced from PubChem (CID 95125456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).