(2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide

C10H16N4O2 — CID 133485696

IUPAC(2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCCOc1cc(N[C@H](C)C(=O)NC)ncn1
InChIInChI=1S/C10H16N4O2/c1-4-16-9-5-8(12-6-13-9)14-7(2)10(15)11-3/h5-7H,4H2,1-3H3,(H,11,15)(H,12,13,14)/t7-/m1/s1
InChIKeyGYEMNCBUYMZIMX-SSDOTTSWSA-N
MW224.26 g/mol
LogP0.42
Rot. Bonds5

About (2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide

(2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 133485696) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID133485696
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCCOc1cc(N[C@H](C)C(=O)NC)ncn1
InChIInChI=1S/C10H16N4O2/c1-4-16-9-5-8(12-6-13-9)14-7(2)10(15)11-3/h5-7H,4H2,1-3H3,(H,11,15)(H,12,13,14)/t7-/m1/s1
InChIKeyGYEMNCBUYMZIMX-SSDOTTSWSA-N
XLogP0.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide (CID 133485696) is (2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide is CCOc1cc(N[C@H](C)C(=O)NC)ncn1.
What is the InChIKey of (2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is GYEMNCBUYMZIMX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-16-9-5-8(12-6-13-9)14-7(2)10(15)11-3/h5-7H,4H2,1-3H3,(H,11,15)(H,12,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide?
(2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 224.26 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-ethoxypyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 133485696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).