(2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide

C14H16N4O2 — CID 50954418

IUPAC(2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide
SMILESCOc1cc(N[C@@H](Cc2ccccc2)C(N)=O)ncn1
InChIInChI=1S/C14H16N4O2/c1-20-13-8-12(16-9-17-13)18-11(14(15)19)7-10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3,(H2,15,19)(H,16,17,18)/t11-/m0/s1
InChIKeyJWEOLBHREWSPEX-NSHDSACASA-N
MW272.31 g/mol
LogP0.99
Rot. Bonds6

About (2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide

(2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide (PubChem CID 50954418) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide
PubChem CID50954418
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide
SMILESCOc1cc(N[C@@H](Cc2ccccc2)C(N)=O)ncn1
InChIInChI=1S/C14H16N4O2/c1-20-13-8-12(16-9-17-13)18-11(14(15)19)7-10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3,(H2,15,19)(H,16,17,18)/t11-/m0/s1
InChIKeyJWEOLBHREWSPEX-NSHDSACASA-N
XLogP0.99
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide (CID 50954418) is (2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide is COc1cc(N[C@@H](Cc2ccccc2)C(N)=O)ncn1.
What is the InChIKey of (2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide?
The InChIKey is JWEOLBHREWSPEX-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-13-8-12(16-9-17-13)18-11(14(15)19)7-10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3,(H2,15,19)(H,16,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide?
(2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide has a molecular weight of 272.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropanamide is sourced from PubChem (CID 50954418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).