(2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol

C15H20N4O — CID 72936204

IUPAC(2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESCCc1cnc(N)nc1N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C15H20N4O/c1-2-12-9-17-15(16)19-14(12)18-13(10-20)8-11-6-4-3-5-7-11/h3-7,9,13,20H,2,8,10H2,1H3,(H3,16,17,18,19)/t13-/m1/s1
InChIKeyXPKRNJOTGUHDCW-CYBMUJFWSA-N
MW272.35 g/mol
LogP1.64
Rot. Bonds6

About (2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol

(2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol (PubChem CID 72936204) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
PubChem CID72936204
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESCCc1cnc(N)nc1N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C15H20N4O/c1-2-12-9-17-15(16)19-14(12)18-13(10-20)8-11-6-4-3-5-7-11/h3-7,9,13,20H,2,8,10H2,1H3,(H3,16,17,18,19)/t13-/m1/s1
InChIKeyXPKRNJOTGUHDCW-CYBMUJFWSA-N
XLogP1.64
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol (CID 72936204) is (2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol is CCc1cnc(N)nc1N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is XPKRNJOTGUHDCW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-12-9-17-15(16)19-14(12)18-13(10-20)8-11-6-4-3-5-7-11/h3-7,9,13,20H,2,8,10H2,1H3,(H3,16,17,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
(2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-5-ethylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 72936204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).