2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid

C15H23N3O2 — CID 122128204

IUPAC2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNCc1cnc(C2CC2)nc1)C(=O)O
InChIInChI=1S/C15H23N3O2/c1-10(2)5-13(15(19)20)9-16-6-11-7-17-14(18-8-11)12-3-4-12/h7-8,10,12-13,16H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyNNDCRTPFVHUWIB-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.19
Rot. Bonds8

About 2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid

2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid (PubChem CID 122128204) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid
PubChem CID122128204
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNCc1cnc(C2CC2)nc1)C(=O)O
InChIInChI=1S/C15H23N3O2/c1-10(2)5-13(15(19)20)9-16-6-11-7-17-14(18-8-11)12-3-4-12/h7-8,10,12-13,16H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyNNDCRTPFVHUWIB-UHFFFAOYSA-N
XLogP2.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid (CID 122128204) is 2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid is CC(C)CC(CNCc1cnc(C2CC2)nc1)C(=O)O.
What is the InChIKey of 2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid?
The InChIKey is NNDCRTPFVHUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)5-13(15(19)20)9-16-6-11-7-17-14(18-8-11)12-3-4-12/h7-8,10,12-13,16H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid?
2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid has a molecular weight of 277.37 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-cyclopropylpyrimidin-5-yl)methylamino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 122128204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).