(2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide

C15H18N4O2 — CID 50975266

IUPAC(2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide
SMILESCCOc1ccnc(N[C@@H](Cc2ccccc2)C(N)=O)n1
InChIInChI=1S/C15H18N4O2/c1-2-21-13-8-9-17-15(19-13)18-12(14(16)20)10-11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H2,16,20)(H,17,18,19)/t12-/m0/s1
InChIKeyKGDZAHPVUZPEPA-LBPRGKRZSA-N
MW286.34 g/mol
LogP1.38
Rot. Bonds7

About (2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide

(2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide (PubChem CID 50975266) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide
PubChem CID50975266
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name(2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide
SMILESCCOc1ccnc(N[C@@H](Cc2ccccc2)C(N)=O)n1
InChIInChI=1S/C15H18N4O2/c1-2-21-13-8-9-17-15(19-13)18-12(14(16)20)10-11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H2,16,20)(H,17,18,19)/t12-/m0/s1
InChIKeyKGDZAHPVUZPEPA-LBPRGKRZSA-N
XLogP1.38
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide (CID 50975266) is (2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide is CCOc1ccnc(N[C@@H](Cc2ccccc2)C(N)=O)n1.
What is the InChIKey of (2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide?
The InChIKey is KGDZAHPVUZPEPA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-21-13-8-9-17-15(19-13)18-12(14(16)20)10-11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H2,16,20)(H,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide?
(2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide has a molecular weight of 286.34 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethoxypyrimidin-2-yl)amino]-3-phenylpropanamide is sourced from PubChem (CID 50975266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).