(2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide

C8H12N4O2 — CID 131207179

IUPAC(2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide
SMILESCOc1ncncc1NC(=O)[C@@H](C)N
InChIInChI=1S/C8H12N4O2/c1-5(9)7(13)12-6-3-10-4-11-8(6)14-2/h3-5H,9H2,1-2H3,(H,12,13)/t5-/m1/s1
InChIKeyYXXZOVYYOGPTNE-RXMQYKEDSA-N
MW196.21 g/mol
LogP-0.23
Rot. Bonds3

About (2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide

(2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide (PubChem CID 131207179) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide
PubChem CID131207179
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide
SMILESCOc1ncncc1NC(=O)[C@@H](C)N
InChIInChI=1S/C8H12N4O2/c1-5(9)7(13)12-6-3-10-4-11-8(6)14-2/h3-5H,9H2,1-2H3,(H,12,13)/t5-/m1/s1
InChIKeyYXXZOVYYOGPTNE-RXMQYKEDSA-N
XLogP-0.23
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide (CID 131207179) is (2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide is COc1ncncc1NC(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide?
The InChIKey is YXXZOVYYOGPTNE-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5(9)7(13)12-6-3-10-4-11-8(6)14-2/h3-5H,9H2,1-2H3,(H,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide?
(2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide has a molecular weight of 196.21 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-methoxypyrimidin-5-yl)propanamide is sourced from PubChem (CID 131207179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).