2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide

C9H14N4O — CID 94587533

IUPAC2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide
SMILESCc1nc(CC(N)=O)ncc1[C@@H](C)N
InChIInChI=1S/C9H14N4O/c1-5(10)7-4-12-9(3-8(11)14)13-6(7)2/h4-5H,3,10H2,1-2H3,(H2,11,14)/t5-/m1/s1
InChIKeyMISQOGHGPVBCJY-RXMQYKEDSA-N
MW194.24 g/mol
LogP-0.17
Rot. Bonds3

About 2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide

2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide (PubChem CID 94587533) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide
PubChem CID94587533
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide
SMILESCc1nc(CC(N)=O)ncc1[C@@H](C)N
InChIInChI=1S/C9H14N4O/c1-5(10)7-4-12-9(3-8(11)14)13-6(7)2/h4-5H,3,10H2,1-2H3,(H2,11,14)/t5-/m1/s1
InChIKeyMISQOGHGPVBCJY-RXMQYKEDSA-N
XLogP-0.17
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide?
The IUPAC name of 2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide (CID 94587533) is 2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide is Cc1nc(CC(N)=O)ncc1[C@@H](C)N.
What is the InChIKey of 2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide?
The InChIKey is MISQOGHGPVBCJY-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H14N4O/c1-5(10)7-4-12-9(3-8(11)14)13-6(7)2/h4-5H,3,10H2,1-2H3,(H2,11,14)/t5-/m1/s1.
What are the key properties of 2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide?
2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide has a molecular weight of 194.24 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide is sourced from PubChem (CID 94587533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).