2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol

C11H20N6O — CID 54585776

IUPAC2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol
SMILESCN[C@@H]1CCN(c2cc(N)nc(NCCO)n2)C1
InChIInChI=1S/C11H20N6O/c1-13-8-2-4-17(7-8)10-6-9(12)15-11(16-10)14-3-5-18/h6,8,13,18H,2-5,7H2,1H3,(H3,12,14,15,16)/t8-/m1/s1
InChIKeyYEONCWYNVXCPOF-MRVPVSSYSA-N
MW252.32 g/mol
LogP-0.74
Rot. Bonds5

About 2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol

2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 54585776) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID54585776
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol
SMILESCN[C@@H]1CCN(c2cc(N)nc(NCCO)n2)C1
InChIInChI=1S/C11H20N6O/c1-13-8-2-4-17(7-8)10-6-9(12)15-11(16-10)14-3-5-18/h6,8,13,18H,2-5,7H2,1H3,(H3,12,14,15,16)/t8-/m1/s1
InChIKeyYEONCWYNVXCPOF-MRVPVSSYSA-N
XLogP-0.74
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol (CID 54585776) is 2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol is CN[C@@H]1CCN(c2cc(N)nc(NCCO)n2)C1.
What is the InChIKey of 2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is YEONCWYNVXCPOF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-13-8-2-4-17(7-8)10-6-9(12)15-11(16-10)14-3-5-18/h6,8,13,18H,2-5,7H2,1H3,(H3,12,14,15,16)/t8-/m1/s1.
What are the key properties of 2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 252.32 g/mol, XLogP of -0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 54585776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).