(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide

C10H16N4O — CID 107588618

IUPAC(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cncnc1
InChIInChI=1S/C10H16N4O/c1-7(2)3-9(11)10(15)14-8-4-12-6-13-5-8/h4-7,9H,3,11H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyYDUGGPKGHUNGDB-VIFPVBQESA-N
MW208.26 g/mol
LogP0.79
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide

(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide (PubChem CID 107588618) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide
PubChem CID107588618
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cncnc1
InChIInChI=1S/C10H16N4O/c1-7(2)3-9(11)10(15)14-8-4-12-6-13-5-8/h4-7,9H,3,11H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyYDUGGPKGHUNGDB-VIFPVBQESA-N
XLogP0.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide (CID 107588618) is (2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide is CC(C)C[C@H](N)C(=O)Nc1cncnc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide?
The InChIKey is YDUGGPKGHUNGDB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(2)3-9(11)10(15)14-8-4-12-6-13-5-8/h4-7,9H,3,11H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide?
(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide has a molecular weight of 208.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide is sourced from PubChem (CID 107588618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).